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Publications

The following list reflects the broad spectrum of computational research at the University of New Mexico. All publications have made use of CARC resources including computation, storage, machine hosting, or resident research space at the Center. To submit a paper or manuscript for inclusion here, email the citation and/or manuscript PDF to publications@carc.unm.edu.

2017

Zundel, L. and Manjavacas, A., 2017. Spatially resolved optical sensing using graphene nanodisk arrays. ACS Photonics.

Ard, S.G., Shuman, N.S., Martinez, O., Keyes, N.R., Viggiano, A.A., Guo, H. and Troe, J., 2017. Temperature and Pressure Dependences of the Reactions of Fe+ with Methyl Halides CH3X (X= Cl, Br, I): Experiments and Kinetic Modeling Results. The Journal of Physical Chemistry A.

Cowen, B.J. and El-Genk, M.S., 2017. Estimates of point defect production in α-quartz using molecular dynamics simulations. Modelling and Simulation in Materials Science and Engineering, 25(5), p.055001.

Silantyev, D.A., Lushnikov, P.M. and Rose, H.A., 2017. Langmuir wave filamentation in the kinetic regime. I. Filamentation instability of Bernstein-Greene-Kruskal modes in multidimensional Vlasov simulations. Physics of Plasmas, 24(4), p.042104.

Mahajan, A., Youssef, L.A., Cleyrat, C., Grattan, R., Lucero, S.R., Mattison, C.P., Erasmus, M.F., Jacobson, B., Tapia, L., Hlavacek, W.S. and Schuyler, M., 2017. Allergen Valency, Dose, and FcεRI Occupancy Set Thresholds for Secretory Responses to Pen a 1 and Motivate Design of Hypoallergens. The Journal of Immunology, 198(3), pp.1034-1046.

Abaie, B., Mobini, E., Karbasi, S., Hawkins, T., Ballato, J., Mafi, A., Mafi, A., Abaie, B., Mobini, E., Karbasi, S. and Hawkins, T., Random lasing in an Anderson localizing optical fiber Running title: Random lasing in an Anderson localizing fiber.

Reid, K.M., Patel, S., Robinson, A.J., Bu, L., Jarungsriapisit, J., Moore, L.J. and Salinas, I., 2017. Salmonid alphavirus infection causes skin dysbiosis in Atlantic salmon (Salmo salar L.) post-smolts. PloS one, 12(3), p.e0172856.

Abaie, B. and Mafi, A., 2017, February. Scaling analysis of Anderson localizing optical fibers. In Proc. of SPIE Vol (Vol. 10112, pp. 101121R-1).

Dixon, D.S., Mozumder, P., Vásquez, W.F. and Gladwin, H., 2017. Heterogeneity Within and Across Households in Hurricane Evacuation Response. Networks and Spatial Economics, pp.1-36.

Stone, M.C., Byrne, C.F. and Morrison, R.R., 2017. Evaluating the Impacts of Hydrologic and Geomorphic Alterations on Floodplain Connectivity. Ecohydrology.

Kolb, B., Luo, X., Zhou, X., Jiang, B. and Guo, H., 2017. High-dimensional Atomistic Neural Network Potentials for Molecule-Surface Interactions: HCl Scattering from Au (111). The Journal of Physical Chemistry Letters.

Vangara, R., Brown, D.C.R., van Swol, F. and Petsev, D.N., 2017. Electrolyte solution structure and its effect on the properties of electric double layers with surface charge regulation. Journal of Colloid and Interface Science, 488, pp.180-189.

2016

Coutsias, E.A., Lexa, K.W., Wester, M.J., Pollock, S.N. and Jacobson, M.P., 2016. Exhaustive Conformational Sampling of Complex Fused Ring Macrocycles Using Inverse Kinematics. Journal of Chemical Theory and Computation, 12(9), pp.4674-4687.

Xie, C., Jiang, B., Yang, M. and Guo, H., 2016. State-to-State Mode Specificity in F+ CHD3→ HF/DF+ CD3/CHD2 Reaction. The Journal of Physical Chemistry A, 120(33), pp.6521-6528.

Manjavacas, A., 2016. Anisotropic optical response of nanostructures with balanced gain and loss. ACS Photonics, 3(7), pp.1301-1307.

Benson, B.W., Iyer, S.R., Kemper, K. and Zhao, J., 2016. Director Networks and Credit Ratings.

Qi, X., Baragiola, B.Q., Jessen, P.S. and Deutsch, I.H., 2016. Dispersive response of atoms trapped near the surface of an optical nanofiber with applications to quantum nondemolition measurement and spin squeezing. Physical Review A, 93(2), p.023817.

Shahbazikhah, P., Kalivas, J.H., Andries, E. and O'Loughlin, T., 2016. Using the L1 norm to select basis set vectors for multivariate calibration and calibration updating. Journal of Chemometrics.

Martin, T.D., Hill, E.H., Whitten, D.G., Chi, E.Y. and Evans, D.G., 2016. Oligomeric Conjugated Polyelectrolytes Display Site-Preferential Binding to an MS2 Viral Capsid. Langmuir, 32(47), pp.12542-12551.

Song, H., Li, A. and Guo, H., 2016. Rotational and Isotopic Effects in the H2+ OH+→ H+ H2O+ Reaction. The Journal of Physical Chemistry A.

Ard, S.G., Johnson, R.S., Martinez, O., Shuman, N.S., Guo, H., Troe, J. and Viggiano, A.A., 2016. Analysis of the Pressure and Temperature Dependence of the Complex-Forming Bimolecular Reaction CH3OCH3+ Fe+. The Journal of Physical Chemistry A.

Ox, J., 2016. Color Systems are Categories that Carry Meaning in Visualizations: A Conceptual Metaphor Theory Approach. Electronic Imaging, 2016(16), pp.1-9.

Manavi, K., Jacobson, B., Hoard, B. and Tapia, L., 2016. Influence of model resolution on geometric simulations of antibody aggregation. Robotica, 34(08), pp.1754-1776.

Hoard, B., Jacobson, B., Manavi, K. and Tapia, L., 2016. Extending rule-based methods to model molecular geometry and 3D model resolution. BMC Systems Biology, 10(2), p.48.

Vangara, R., Brown, D.C.R., van Swol, F. and Petsev, D.N., 2017. Electrolyte solution structure and its effect on the properties of electric double layers with surface charge regulation. Journal of Colloid and Interface Science, 488, pp.180-189.

Tencate, A., Kalivas, J.H. and Andries, E., 2016. Penalty processes for combining roughness and smoothness in spectral multivariate calibration. Journal of Chemometrics, 30(4), pp.144-152.

Zhao, B., Sun, Z. and Guo, H., 2016. A reactant-coordinate-based approach to state-to-state differential cross sections for tetratomic reactions. The Journal of Chemical Physics, 145(18), p.184106.

Cavanagh, J.F. and Castellanos, J., 2016. Identification of canonical neural events during continuous gameplay of an 8-bit style video game. NeuroImage, 133, pp.1-13.

Han, H., Alday, B., Shuman, N.S., Wiens, J.P., Troe, J., Viggiano, A.A. and Guo, H., 2016. Calculations of the active mode and energetic barrier to electron attachment to CF 3 and comparison with kinetic modeling of experimental results. Physical Chemistry Chemical Physics, 18(45), pp.31064-31071.

Cowen, B.J. and El-Genk, M.S., 2016. Probability-based threshold displacement energies for oxygen and silicon atoms in α-quartz silica. Computational Materials Science, 117, pp.164-171.

Kerketta, R., Halász, Á.M., Steinkamp, M.P., Wilson, B.S. and Edwards, J.S., 2016. Effect of spatial inhomogeneities on the membrane surface on receptor dimerization and signal initiation. Frontiers in Cell and Developmental Biology, 4.

Chen, T., Lehr, J., Lavrova, O. and Martinez-Ramonz, M., 2016, July. Distribution-level peak load prediction based on Bayesian Additive Regression Trees. In Power and Energy Society General Meeting (PESGM), 2016 (pp. 1-5). IEEE.

Song, H., Lu, Y., Li, J., Yang, M. and Guo, H., 2016. Mode specificity in the OH+ CHD3 reaction: Reduced-dimensional quantum and quasi-classical studies on an ab initio based full-dimensional potential energy surface. The Journal of chemical physics, 144(16), p.164303.

Manjavacas, A., Rodríguez-Fortuño, F.J., de Abajo, F. and Zayats, A.V., 2016. Lateral Casimir force on a rotating particle near a planar surface. arXiv preprint arXiv:1612.03733.

Cowen, B.J. and El-Genk, M.S., 2016. Bond-order reactive force fields for molecular dynamics simulations of crystalline silica. Computational Materials Science, 111, pp.269-276.

Lin, J., Wester, M.J., Graus, M.S., Lidke, K.A. and Neumann, A.K., 2016. Nanoscopic cell-wall architecture of an immunogenic ligand in Candida albicans during antifungal drug treatment. Molecular biology of the cell, 27(6), pp.1002-1014.

Martinez-Herrero, R. and Manjavacas, A., 2016. Basis for paraxial surface-plasmon-polariton packets. Physical Review A, 94(6), p.063829.

Moradi, C.P., Xie, C., Kaufmann, M., Guo, H. and Douberly, G.E., 2016. Two-center three-electron bonding in ClNH3 revealed via helium droplet infrared laser Stark spectroscopy: Entrance channel complex along the Cl+ NH3→ ClNH2+ H reaction. The Journal of chemical physics, 144(16), p.164301.

Abaie, B., Mobini, E., Karbasi, S., Hawkins, T., Ballato, J. and Mafi, A., 2016. Random lasing in an Anderson localizing optical fiber. arXiv preprint arXiv:1612.03835.

Kolb, B. and Guo, H., 2016. Communication: Energy transfer and reaction dynamics for DCl scattering on Au (111): An ab initio molecular dynamics study.

Lin, S., Gao, H.W. and Peng, Z., 2016, May. High-fidelity, high-performance full-wave computational algorithms for intra-system EMI analysis of IC and electronics. In Signal and Power Integrity (SPI), 2016 IEEE 20th Workshop on (pp. 1-4). IEEE.

Lushnikov, P.M., 2016, September. Nonlinear combining of multiple laser beams in multimode optical fiber. In Australian Conference on Optical Fibre Technology (pp. JM6A-15). Optical Society of America.

Shao, Y., Wang, S. and Peng, Z., 2016, March. Hierarchical modeling and scalable algorithms for in-situ characterization of 3D IC packages. In 2016 IEEE/ACES International Conference on Wireless Information Technology and Systems (ICWITS) and Applied Computational Electromagnetics (ACES) (pp. 1-2). IEEE.

Shi, Y. and Lee, J.H., 2016. Sample size calculations for group randomized trials with unequal group sizes through Monte Carlo simulations. Statistical Methods in Medical Research, p.0962280216682775.

Wheeler, L.B., Galewsky, J., Herold, N. and Huber, M., 2016. Late Cenozoic surface uplift of the southern Sierra Nevada (California, USA): A paleoclimate perspective on lee-side stable isotope paleoaltimetry. Geology, 44(6), pp.451-454.

Winner, K.R.K., Steinkamp, M.P., Lee, R.J., Swat, M., Muller, C.Y., Moses, M.E., Jiang, Y. and Wilson, B.S., 2016. Spatial modeling of drug delivery routes for treatment of disseminated ovarian cancer. Cancer research, 76(6), pp.1320-1334.

Fleharty, M. E., van Swol, F., & Petsev, D. N. (2016). Solvent Role in the Formation of Electric Double Layers with Surface Charge Regulation: A Bystander or a Key Participant?Physical Review Letters116(4), 048301.

Lin, J., Wester, M. J., Graus, M. S., Lidke, K. A., & Neumann, A. K. (2016). Nanoscopic cell wall architecture of an immunogenic ligand in Candida albicans during antifungal drug treatmentMolecular Biology of the Cell, mbc-E15.

2015

Noormofidi, V., Atlas, S. R., & Duan, H. (2015). Performance Analysis of an Astrophysical Simulation Code on the Intel Xeon Phi ArchitecturearXiv preprint arXiv:1510.02163.

Svihla, V., Wester, M. J., & Linn, M. C. (2015). Distributed revisiting: An analytic for retention of coherent science learningJournal of Learning Analytics2(2), 75-101.

Chen, T., Lavrova, O., & Lehr, J. (2015, November). The optimal planning and dynamic operation of distributed generation method based on modified multiobjective optimization in power distribution system. In Green Energy and Systems Conference (IGESC), 2015 IEEE (pp. 49-54). IEEE.

Cowen, B. J., & El-Genk, M., (2015). Bond-order reactive force fields for molecular dynamics simulations of crystalline silica. Computational Materials Science, 111 269-276.

Ogasawara, Y., Torrez-Martinez, N., Aragon, A. D., Yackley, B. J., Weber, J. A., Sundararajan, A., ... & Melançon, C. E. (2015). High-Quality Draft Genome Sequence of Actinobacterium Kibdelosporangium sp. MJ126-NF4, Producer of Type II Polyketide Azicemicins, Using Illumina and PacBio TechnologiesGenome Announcements3(2), e00114-15.

Pryor, M. M., Steinkamp, M. P., Halasz, A. M., Chen, Y., Yang, S., Smith, M. S., ... & Wilson, B. S. (2015). Orchestration of ErbB3 signaling through hetero and homo-interactionsMolecular Biology of the Cell, mbc-E14.

Porteous, A. B., Habbit, R., III, J. D., Poroseva, S. V., & Murman, S. M. (2015). Simulations of Incompressible Separated Turbulent Flows around Two-Dimensional Bodies with URANS Models in OpenFOAM. In 22nd AIAA Computational Fluid Dynamics Conference (p. 2609).

Echavarria, C. M. L., & Poroseva, S. V. Computational Analysis of the Blade Number Effect on the Performance of a Ducted Propeller. in AIAA Atmospheric Flight Mechanics Conference.

Porteous, A. B., Habbit, R., III, J. D., Poroseva, S. V., & Murman, S. M. (2015). Simulations of Incompressible Separated Turbulent Flows around Two-Dimensional Bodies with URANS Models in OpenFOAM. In 22nd AIAA Computational Fluid Dynamics Conference (p. 2609).

Poroseva, S. V., Fernandez, J. D. C., & Murman, S. M. (2015). RANS Simulations of a Channel Flow with a New Velocity/Pressure-Gradient Model. In 22nd AIAA Computational Fluid Dynamics Conference (p. 3067).

Poroseva, S. V., Kaiser, B. E., Sillero, J. A., & Murman, S. M. (2015). Validation of a closing procedure for fourth-order RANS turbulence models with DNS data in an incompressible zero-pressure-gradient turbulent boundary layerInternational Journal of Heat and Fluid Flow56, 71-79.

Loring, T. A. (2015). K-theory and pseudospectra for topological insulators. Annals of Physics356, 383-416.

Hauser, K., Essuman, B., Coutsias, E., Garcia-Diaz, M., & Simmerling, C. (2015). A Human Transcription Factor in Search ModeBiophysical Journal108(2), 397a.

Perez-Arriaga, M., Wilson, S., Williams, K. P., Schoeniger, J., Waymire, R. L., & Powell, A. J. (2015). Omics Metadata Management Software (OMMS). Bioninformation, 11(4)

States, J. (n.d.). (2015). Arsenic Interaction with Zinc Finger Motifs. Arsenic: Exposure Sources, health risks, and mechanisms of toxicity (Vol. 1).

Schriener, T. M., & El-Genk, M. S. (2015). Convection heat transfer of NaK-78 liquid metal in a circular tube and a tri-lobe channelInternational Journal of Heat and Mass Transfer86, 234-243.

Bu, L., & Katju, V. (2015). Early evolutionary history and genomic features of gene duplicates in the human genomeBMC Genomics16(1), 621.

Kazemi, A., Klein, B., Nami, M., Kim, J. O., Allen, M. S., Allen, J. W., ... & Krishna, S. (2015). Investigation of plasmonic enhancement in a quantum dot-in-a-well structure. In SPIE OPTO (pp. 937019-937019). International Society for Optics and Photonics.

Tsai, J. W., Simonetti, J. H., Akukwe, B., Bear, B., Cutchin, S. E., Dowell, J., ... & Kavic, M. (2015). Observations of Giant Pulses from Pulsar B0950+ 08 Using LWA1The Astronomical Journal149(2), 65.

Obenberger, K. S., Taylor, G. B., Hartman, J. M., Clarke, T. E., Dowell, J., Dubois, A., ... & Schinzel, F. K. (2015). Monitoring the Sky with the Prototype All-Sky Imager on the LWA1Journal of Astronomical Instrumentation, 1550004.

Fleharty, M. E., van Swol, F., & Petsev, D. N. (2015). Charge regulation at semiconductor-electrolyte interfacesJournal of Colloid and Interface Science449, 409-415.

Falkovich, G., & Vladimirova, N. (2015). Cascades in nonlocal turbulencePhysical Review E91(4), 041201.

López, C. A., Sethi, A., Goldstein, B., Wilson, B. S., & Gnanakaran, S. (2015). Membrane-Mediated Regulation of the Intrinsically Disordered CD3ϵ Cytoplasmic Tail of the TCRBiophysical Journal108(10), 2481-2491.

Serov, A., Andersen, N. I., Roy, A. J., Matanovic, I., Artyushkova, K., & Atanassov, P. (2015). CuCo2O4 ORR/OER Bi-Functional Catalyst: Influence of Synthetic Approach on PerformanceJournal of The Electrochemical Society162(4), F449-F454.

Matanovic, I., Babanova, S., Perry III, A., Serov, A., Artyushkova, K., & Atanassov, P. (2015). Bio-inspired design of electrocatalysts for oxalate oxidation: a combined experimental and computational study of Mn–N–C catalystsPhysical Chemistry Chemical Physics17(20), 13235-13244.

Babanova, S., Matanovic, I., Chavez, M. S., & Atanassov, P. (2015). Role of Quinones in Electron Transfer of PQQ–Glucose Dehydrogenase Anodes Mediation or Orientation EffectJournal of the American Chemical Society137(24), 7754-7762.

Cowen, B. J., & El-Genk, M. S. (2015). On force fields for molecular dynamics simulations of crystalline silicaComputational Materials Science107, 88-101.

Nami, M., & Feezell, D. (2015). Optical properties of Ag-coated GaN/InGaN axial and core–shell nanowire light-emitting diodesJournal of Optics17(2), 025004.

Branham, M. S., Hsu, W. C., Yerci, S., Loomis, J., Boriskina, S. V., Hoard, B. R., ... & Chen, G. (2015). 15.7% efficient 10-μm-thick crystalline silicon solar cells using periodic nanostructuresAdvanced Materials27(13), 2182-2188.

Cai, T., & Han, S. E. (2015). Effect of symmetry in periodic nanostructures on light trapping in thin film solar cellsJOSA B32(11), 2264-2270.

Han, S. E.  (2015). Suppression of infrared absorption in nanostructured metals by controlling faraday inductance and electron path length (submitted).

Perez-Arriaga, M.O., Wilson, S., Williams, K.P., Schoeniger, J., Powell, A.J. (2015). Omics metadata management software. Bioinformation. 30;11(4):165-72.

Hudson, C. M., Kirton, E., Hutchinson, M. I., Redfern, J. L., Simmons, B., Ackerman, E., Singh, S., Williams, K. P., Natvig D. O., & Powell, A. J. (2015). Lignin-Modifying Processes in the Rhizosphere of Aridland Grasses. Environmental Microbiology.

Guo, L., Han, H., Ma, J., & Guo, H. (2015). Quantum Dynamics of Vinylidene Photodetachment on an Accurate Global Acetylene-Vinylidene Potential Energy SurfaceThe Journal of Physical Chemistry A119(31), 8488-8496.

Majumder, M., Hegger, S. E., Dawes, R., Manzhos, S., Wang, X. G., Tucker Jr, C., ... & Guo, H. (2015). Explicitly correlated MRCI-F12 potential energy surfaces for methane fit with several permutation invariant schemes and full-dimensional vibrational calculations. Molecular Physics, (ahead-of-print), 1-11.

Ard, S. G., Johnson, R. S., Melko, J. J., Martinez, O., Shuman, N. S., Ushakov, V. G., ... & Viggiano, A. A. (2015). Spin-inversion and spin-selection in the reactions FeO++ H 2 and Fe++ N 2 OPhysical Chemistry Chemical Physics17(30), 19709-19717.

Zou, L., Li, J., Wang, H., Ma, J., & Guo, H. (2015). State-Resolved Quantum Dynamics of Photodetachment of HCO2−/DCO2− on an Accurate Global Potential Energy SurfaceThe Journal of Physical Chemistry A.

Song, H., & Guo, H. (2015). Vibrational and Rotational Mode Specificity in The Cl+ H2O→ HCl+ OH Reaction: A Quantum Dynamical StudyThe Journal of Physical Chemistry A.

Huang, Y. H., Li, J., Guo, H., & Lee, Y. P. (2015). Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm− 1 and new assignments of bands 2ν9 and ν5The Journal of chemical physics142(21), 214301.

Li, J., Chen, J., Zhao, Z., Xie, D., Zhang, D. H., & Guo, H. (2015). A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H+ CH4 systemThe Journal of Chemical Physics142(20), 204302.

Li, J., Jiang, B., Song, H., Ma, J., Zhao, B., Dawes, R., & Guo, H. (2015). From Ab Initio Potential Energy Surfaces to State Resolved Reactivities: The X+ H2O↔ HX+ OH (X= F, Cl, and O (3P)) ReactionsThe Journal of Physical Chemistry A.

Li, J., Jiang, B., Song, H., Ma, J., Zhao, B., Dawes, R., & Guo, H. (2015). From Ab Initio Potential Energy Surfaces to State Resolved Reactivities: The X+ H2O↔ HX+ OH (X= F, Cl, and O (3P)) ReactionsThe Journal of Physical Chemistry A.

Martinez Jr, O., Sanchez, J. C., Ard, S. G., Li, A., Melko, J. J., Shuman, N. S., ... & Viggiano, A. A. (2015). Selected-ion flow tube temperature-dependent measurements for the reactions of O2+ with N atoms and N2+ with O atomsThe Journal of chemical physics142(15), 154305.

Han, H., Song, H., Li, J., & Guo, H. (2015). Near Spectroscopically Accurate Ab Initio Potential Energy Surface for NH4+ and Variational Calculations of Low-Lying Vibrational LevelsThe Journal of Physical Chemistry A119(14), 3400-3406.

Zhou, L., Xie, D., & Guo, H. (2015). Signatures of non-adiabatic dynamics in the fine-structure state distributions of the OH (X̃/Ã) products in the B-band photodissociation of H2OThe Journal of chemical physics142(12), 124317.

Xie, C., Zhu, X., Ma, J., Yarkony, D. R., Xie, D., & Guo, H. (2015). Communication: On the competition between adiabatic and nonadiabatic dynamics in vibrationally mediated ammonia photodissociation in its A bandThe Journal of chemical physics142(9), 091101.

Li, A., & Guo, H. (2015). Prediction of mode specificity in 1, 3-dipolar cycloadditions using the Sudden Vector Projection modelChemical Physics Letters624, 102-106.

Li, J., Corchado, J. C., Espinosa-Garcia, J., & Guo, H. (2015). Final state-resolved mode specificity in HX+ OH→ X+ H2O (X= F and Cl) reactions: A quasi-classical trajectory studyThe Journal of chemical physics142(8), 084314.

Whitehill, A. R., Jiang, B., Guo, H., & Ono, S. (2015). SO 2 photolysis as a source for sulfur mass-independent isotope signatures in stratospehric aerosolsAtmospheric Chemistry and Physics15(4), 1843-1864.

Xie, W., Liu, L., Sun, Z., Guo, H., & Dawes, R. (2015). State-to-state reaction dynamics of 18O+ 32O2 studied by a time-dependent quantum wavepacket methodThe Journal of chemical physics142(6), 064308.

Zhao, B., & Guo, H. (2015). Modulations of Transition-State Control of State-to-State Dynamics in the F+ H2O→ HF+ OH ReactionThe Journal of Physical Chemistry Letters6(4), 676-680.

Lin, S., Huang, J., Gao, X., Ye, X., & Guo, H. (2015). Theoretical Insight into the Reaction Mechanism of Ethanol Steam Reforming on Co (0001)The Journal of Physical Chemistry C119(5), 2680-2691.

Song, H., & Guo, H. (2015). Mode Specificity in the HCl+ OH→ Cl+ H2O Reaction: Polanyi’s Rules vs Sudden Vector Projection ModelThe Journal of Physical Chemistry A119(5), 826-831.

Li, J., Song, H., & Guo, H. (2015). Insights into the bond-selective reaction of Cl+ HOD (n OH)→ HCl+ ODPhysical Chemistry Chemical Physics17(6), 4259-4267.

Nakajima, M., Yue, Q., Li, J., Guo, H., & Endo, Y. (2015). An experimental and theoretical study on rotational constants of vibrationally excited CH 2 OOChemical Physics Letters621, 129-133.

2014

Itano, M. S., Graus, M. S., Pehlke, C., Wester, M. J., Liu, P., Lidke, K. A., ... & Neumann, A. K. (2014). Super-resolution imaging of C-type lectin spatial rearrangement within the dendritic cell plasma membrane at fungal microbe contact sitesFrontiers in physics2.

Graus, M. S., Pehlke, C., Wester, M. J., Davidson, L. B., Steinberg, S. L., & Neumann, A. K. (2014). A new tool to quantify receptor recruitment to cell contact sites during host-pathogen interaction.

Yim, H. S., Cho, Y. S., Guang, X., Kang, S. G., Jeong, J. Y., Cha, S. S., ... & Kim, B. C. (2014). Minke whale genome and aquatic adaptation in cetaceansNature genetics46(1), 88-92.

Edwards, J. S., Atlas, S. R., Wilson, S. M., Cooper, C. F., Luo, L., & Stidley, C. A. (2014, June). Integrated statistical and pathway approach to next-generation sequencing analysis: a family-based study of hypertension. In BMC proceedings (Vol. 8, No. Suppl 1, p. S104). BioMed Central Ltd.

Jun, J., Cho, Y. S., Hu, H., Kim, H. M., Jho, S., Gadhvi, P., ... & Bhak, J. (2014). Whole genome sequence and analysis of the Marwari horse breed and its genetic originBMC genomics15(Suppl 9), S4.

Porteous, A. B., Kaiser, B. E., Poroseva, S. V., Bond, C. R., & Hovsapian, R. O. (2014). Wake Flow Simulations for a Mid-Sized Rim Driven Wind Turbine. In the 32nd AIAA Applied Aerodynamics Conference.

Gomez, S., Graves, B. J., & Poroseva, S. V. (2014). On the Accuracy of RANS Simulations of 2D Boundary Layers with OpenFOAM. In the 44th AIAA Fluid Dynamics Conference.

Loring, T. A. (2014). Computing a logarithm of a unitary matrix with general spectrum. Numerical Linear Algebra with Applications21(6), 744-760.

Dubay, S. G., & Witt, C. C. (2014, January). Differential high-altitude adaptation and limited gene flow across a mid-elevation hybrid zone in birds. In INTEGRATIVE AND COMPARATIVE BIOLOGY (Vol. 54, pp. E54-E54). JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA: OXFORD UNIV PRESS INC.

Vickers, C. J., González-Páez, G. E., Litwin, K. M., Umotoy, J. C., Coutsias, E. A., & Wolan, D. W. (2014). Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids. ACS chemical biology9(10), 2194-2198.

Valone, S. M., Atlas, S. R., & Baskes, M. I. (2014). Fragment Hamiltonian model potential for nickel: metallic character and defects in crystalline lattices. Modelling and Simulation in Materials Science and Engineering22(4), 045013.

Edwards, J. S., Atlas, S. R., Wilson, S. M., Cooper, C. F., Luo, L., & Stidley, C. A. (2014, June). Integrated statistical and pathway approach to next-generation sequencing analysis: a family-based study of hypertension. In BMC proceedings (Vol. 8, No. Suppl 1, p. S104). BioMed Central Ltd.

Helmboldt, J. F., Ellingson, S. W., Hartman, J. M., Lazio, T. J. W., Taylor, G. B., Wilson, T. L., & Wolfe, C. N. (2014). All‐sky imaging of meteor trails at 55.25 MHz with the first station of the Long Wavelength ArrayRadio Science49(3), 157-180.

Obenberger, K. S., Hartman, J. M., Taylor, G. B., Craig, J., Dowell, J., Helmboldt, J. F., ... & Wilson, T. L. (2014). Limits on GRB Prompt Radio Emission Using the LWA1arXiv preprint arXiv:1403.3674.

Obenberger, K. S., Taylor, G. B., Hartman, J. M., Dowell, J., Ellingson, S. W., Helmboldt, J. F., ... & Wilson, T. L. (2014). Detection of Radio Emission from FireballsThe Astrophysical Journal Letters788(2), L26.

Clarke, T. E., Higgins, C. A., Skarda, J., Imai, K., Imai, M., Reyes, F., ... & Taylor, G. B. (2014). Probing Jovian decametric emission with the long wavelength array station 1Journal of Geophysical Research: Space Physics119(12), 9508-9526.

Stovall, K., Ray, P. S., Blythe, J., Dowell, J., Eftekhari, T., Garcia, A., ... & Taylor, G. B. (2014). Pulsar Observations Using the First Station of the Long Wavelength Array and the LWA Pulsar Data ArchivearXiv preprint arXiv:1410.7422.

Fleharty, M. E., van Swol, F., & Petsev, D. N. (2014). The effect of surface charge regulation on conductivity in fluidic nanochannelsJournal of colloid and interface science416, 105-111.

Lushnikov, P. M., Rose, H. A., Silantyev, D. A., & Vladimirova, N. (2014). Vlasov multi-dimensional model dispersion relationPhysics of Plasmas (1994-present)21(7), 072103.

Lushnikov, P. M., & Vladimirova, N. (2014). Nonlinear combining of laser beamsOptics Letters39(12), 3429-3432.

Ulyanova, Y., Babanova, S., Pinchon, E., Matanović, I., Singha, S., & Atanssov, P. (2014). Effect of enzymatic orientation through the use of syringaldazine molecules on multiple multi-copper oxidase enzymes, Physical Chemistry Chemical Physics, 16, 13367-13375.

Babanova, S., Matanovic, I., & Atanassov, P. (2014). Quinone‐modified surfaces for enhanced enzyme–electrode interactions in pyrroloquinoline‐quinone‐dependent glucose dehydrogenase anodesChemElectroChem1(11), 2017-2028.

Nami, M., & Feezell, D. F. (2014). Optical properties of plasmonic light-emitting diodes based on flip-chip III-nitride core-shell nanowiresOptics Express22(24), 29445-29455.

Nami, M., Wright, J., & Feezell, D. (2014). Investigation of purcell factor and light extraction efficiency in ag-coated GaN/InGaN core-shell nanowires. In: CLEO: Science and Innovations (pp. SM2J-4). Optical Society of America.

Clark, S. M., & Han, S. E. (2014). Two-dimensional metamaterial transparent metal electrodes for infrared optoelectronicsOptics Letters39(12), 3666-3669.

Han, S. E., & Clark, S. M. (2014). Optical properties of metamaterial serpentine metal electrodesAIP Advances4(12), 123002.

Dawes, R., Jiang, B., & Guo, H. (2014). UV absorption spectrum and photodissociation channels of the simplest Criegee intermediate (CH2OO)Journal of the American Chemical Society137(1), 50-53.

Han, H., Li, A., & Guo, H. (2014). Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerizationThe Journal of chemical physics141(24), 244312.

Jiang, B., Li, J., & Guo, H. (2014). Effects of reactant rotational excitation on reactivity: Perspectives from the sudden limitThe Journal of chemical physics140(3), 034112.

Ma, J., Xie, C., Zhu, X., Yarkony, D. R., Xie, D., & Guo, H. (2014). Full-Dimensional Quantum Dynamics of Vibrationally Mediated Photodissociation of NH3 and ND3 on Coupled Ab Initio Potential Energy Surfaces: Absorption Spectra and NH2 (Ã2A1)/NH2 (X̃2B1) Branching RatiosThe Journal of Physical Chemistry A118(51), 11926-11934.

Li, Y., Suleimanov, Y. V., & Guo, H. (2014). Ring-polymer molecular dynamics rate coefficient calculations for insertion reactions: X+ H2→ HX+ H (X= N, O)The Journal of Physical Chemistry Letters5(4), 700-705.

Guo, H., & Jiang, B. (2014). The Sudden Vector Projection Model for Reactivity: Mode Specificity and Bond Selectivity Made SimpleAccounts of chemical research47(12), 3679-3685.

Ard, S. G., Li, A., Martinez Jr, O., Shuman, N. S., Viggiano, A. A., & Guo, H. (2014). Experimental and Theoretical Kinetics for the H2O++ H2/D2→ H3O+/H2DO++ H/D Reactions: Observation of the Rotational Effect in the Temperature DependenceThe Journal of Physical Chemistry A118(49), 11485-11489.

Jiang, B., & Guo, H. (2014). Prediction of mode specificity, bond selectivity, normal scaling, and surface lattice effects in water dissociative chemisorption on several metal surfaces using the sudden vector projection modelThe Journal of Physical Chemistry C118(46), 26851-26858.

Jiang, B., & Guo, H. (2014). Six-dimensional quantum dynamics for dissociative chemisorption of H 2 and D 2 on Ag (111) on a permutation invariant potential energy surfacePhysical Chemistry Chemical Physics16(45), 24704-24715.

Guo, H., Xie, D., & Yang, W. (2014). A tribute to Guosen YanTheoretical Chemistry Accounts133(12), 1-6.

Melko, J. J., Ard, S. G., Johnson, R. S., Shuman, N. S., Guo, H., & Viggiano, A. A. (2014). Temperature-Dependent Kinetics of Charge Transfer, Hydrogen-Atom Transfer, and Hydrogen-Atom Expulsion in the Reaction of CO+ with CH4 and CD4The Journal of Physical Chemistry A118(37), 8141-8146.

Peterson, E. J., DeLaRiva, A. T., Lin, S., Johnson, R. S., Guo, H., Miller, J. T., ... & Datye, A. K. (2014). Low-temperature carbon monoxide oxidation catalysed by regenerable atomically dispersed palladium on aluminaNature communications5.

Wang, Y., Li, J., Guo, H., & Yang, M. (2014). A comparison study of the H+ CH4 and H+ SiH4 reactions with eight-dimensional quantum dynamics: normal mode versus local mode in the reactant molecule vibrationTheoretical Chemistry Accounts133(10), 1-10.

Li, Y., Sun, Z., Jiang, B., Xie, D., Dawes, R., & Guo, H. (2014). Communication: Rigorous quantum dynamics of O+ O2 exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficientsThe Journal of chemical physics141(8), 081102.

Liu, R., Wang, F., Jiang, B., Czakó, G., Yang, M., Liu, K., & Guo, H. (2014). Rotational mode specificity in the Cl+ CHD3→ HCl+ CD3 reactionThe Journal of chemical physics141(7), 074310.

Gao, J., Thomas, A. K., Johnson, R., Guo, H., & Grey, J. K. (2014). Spatially Resolving Ordered and Disordered Conformers and Photocurrent Generation in Intercalated Conjugated Polymer/Fullerene Blend Solar CellsChemistry of Materials26(15), 4395-4404.

Jiang, B., & Guo, H. (2014). Mode specificity, bond selectivity, and product energy disposal in X+ CH4/CHD3 (X= H, F, O (3P), Cl, and OH) hydrogen abstraction reactions: Perspective from Sudden Vector Projection modelJournal of the Chinese Chemical Society61(8), 847-859.

Van Wyngarden, A. L., Mar, K. A., Quach, J., Nguyen, A. P., Wiegel, A. A., Lin, S. Y., ... & Boering, K. A. (2014). The non-statistical dynamics of the 18O+ 32O2 isotope exchange reaction at two energiesThe Journal of chemical physics141(6), 064311.

Wagner, A. F., Dawes, R., Continetti, R. E., & Guo, H. (2014). Theoretical/experimental comparison of deep tunneling decay of quasi-bound H (D) OCO to H (D)+ CO2The Journal of chemical physics141(5), 054304.

Jiang, B., & Guo, H. (2014). Permutation invariant polynomial neural network approach to fitting potential energy surfaces. III. Molecule-surface interactionsThe Journal of chemical physics141(3), 034109.

Li, J., Carter, S., Bowman, J. M., Dawes, R., Xie, D., & Guo, H. (2014). High-Level, First-principles, full-dimensional quantum calculation of the ro-vibrational spectrum of the simplest criegee intermediate (CH2OO)The Journal of Physical Chemistry Letters5(13), 2364-2369.

Zhao, B., Sun, Z., & Guo, H. (2014). Calculation of state-to-state differential and integral cross sections for atom-diatom reactions with transition-state wave packetsThe Journal of chemical physics140(23), 234110.

Li, A., & Guo, H. (2014). A nine-dimensional ab initio global potential energy surface for the H2O++ H2→ H3O++ H reactionThe Journal of chemical physics140(22), 224313.

Loison, J. C., Hu, X., Han, S., Hickson, K. M., Guo, H., & Xie, D. (2014). An experimental and theoretical investigation of the N (4 S)+ C 2 (1 Σ g+) reaction at low temperaturePhysical Chemistry Chemical Physics16(27), 14212-14219.

Wang, J., Li, J., Ma, J., & Guo, H. (2014). Full-dimensional characterization of photoelectron spectra of HOCO− and DOCO− and tunneling facilitated decay of HOCO prepared by anion photodetachmentThe Journal of chemical physics140(18), 184314.

Hundt, P. M., Jiang, B., van Reijzen, M. E., Guo, H., & Beck, R. D. (2014). Vibrationally promoted dissociation of water on Ni (111)Science344(6183), 504-507.

Xie, C., Ma, J., Zhu, X., Zhang, D. H., Yarkony, D. R., Xie, D., & Guo, H. (2014). Full-Dimensional Quantum State-to-State Nonadiabatic Dynamics for Photodissociation of Ammonia in its A-BandThe Journal of Physical Chemistry Letters5(7), 1055-1060.

Xu, D., Cui, Q., & Guo, H. (2014). Quantum mechanical/molecular mechanical studies of zinc hydrolasesInternational Reviews in Physical Chemistry33(1), 1-41.

Guo, H., Ma, J., & Li, J. (2014). Tunneling in Unimolecular and Bimolecular Reactions. In Molecular Quantum Dynamics (pp. 59-80). Springer Berlin Heidelberg.

Ard, S. G., Melko, J. J., Ushakov, V. G., Johnson, R., Fournier, J. A., Shuman, N. S., ... & Viggiano, A. A. (2014). Activation of Methane by FeO+: Determining Reaction Pathways through Temperature-Dependent Kinetics and Statistical ModelingThe Journal of Physical Chemistry A118(11), 2029-2039.

Li, Y., Suleimanov, Y. V., Green, W. H., & Guo, H. (2014). Quantum rate coefficients and kinetic isotope effect for the reaction Cl+ CH4→ HCl+ CH3 from ring polymer molecular dynamicsThe Journal of Physical Chemistry A118(11), 1989-1996.

Li, J., & Guo, H. (2014). A nine-dimensional global potential energy surface for NH 4 (X 2 A 1) and kinetics studies on the H+ NH 3↔ H 2+ NH 2 reactionPhysical Chemistry Chemical Physics16(14), 6753-6763.

Song, H., Li, J., Jiang, B., Yang, M., Lu, Y., & Guo, H. (2014). Effects of reactant rotation on the dynamics of the OH+ CH4→ H2O+ CH3 reaction: A six-dimensional studyThe Journal of chemical physics140(8), 084307.

Li, Y., Suleimanov, Y. V., & Guo, H. (2014). Ring-polymer molecular dynamics rate coefficient calculations for insertion reactions: X+ H2→ HX+ H (X= N, O)The Journal of Physical Chemistry Letters5(4), 700-705.

Li, J., Chen, J., Zhang, D. H., & Guo, H. (2014). Quantum and quasi-classical dynamics of the OH+ CO→ H+ CO2 reaction on a new permutationally invariant neural network potential energy surfaceThe Journal of chemical physics140(4), 044327.

Jiang, B., Li, J., & Guo, H. (2014). Effects of reactant rotational excitation on reactivity: Perspectives from the sudden limitThe Journal of chemical physics140(3), 034112.

Zhou, L., Xie, D., Sun, Z., & Guo, H. (2014). Product fine-structure resolved photodissociation dynamics: The A band of H2OThe Journal of chemical physics140(2), 024310.

Li, A., Li, Y., Guo, H., Lau, K. C., Xu, Y., Xiong, B., ... & Ng, C. Y. (2014). Communication: The origin of rotational enhancement effect for the reaction of H2O++ H2 (D2)The Journal of chemical physics140(1), 011102.

2013

Johnson, R. S., DeLaRiva, A., Ashbacher, V., Halevi, B., Villanueva, C. J., Smith, G. K., ... & Guo, H. (2013). The CO oxidation mechanism and reactivity on PdZn alloysPhysical Chemistry Chemical Physics15(20), 7768-7776.

Halasz, A. M., Lai, H. J., McCabe Pryor, M., Radhakrishnan, K., & Edwards, J. S. (2013). Analytical solution of steady-state equations for chemical reaction networks with bilinear rate lawsComputational Biology and Bioinformatics, IEEE/ACM Transactions on10(4), 957-969.

Chen,Y., Shor,t C., Halasz, A. M., Edwards, J. S., (2013). VEGF Signaling with One Receptor Cluster. Hybrid Systems and Biology.

Pryor, M. M., Low-Nam, S. T., Halász, Á. M., Lidke, D. S., Wilson, B. S., & Edwards, J. S. (2013). Dynamic transition states of ErbB1 phosphorylation predicted by spatial stochastic modelingBiophysical journal105(6), 1533-1543.

Kaiser, B. E., Poroseva, S. V., Snider, M. A., Hovsapian, R. O., & Johnson, E. (2013). Flow Simulation Around a Rim-Driven Wind Turbine and in Its Wake. In ASME Turbo Expo 2013: Turbine Technical Conference and Exposition (pp. V008T44A001-V008T44A001). American Society of Mechanical Engineers.

Kaiser, B. E., Poroseva, S. V., Johnson, E., & Hovsapian, R. O. (2013). Near-Wake Flow Simulations for a Mid-Sized Rim Driven Wind Turbine. In the 31st AIAA Applied Aerodynamics Conference.

Gomez, S., Gilkey, L. N., Kaiser, B. E., & Poroseva, S. V. (2013). Computational analysis of a tip vortex structure shed from a bio-inspired bladeBulletin of the American Physical Society58.

Vides, F., & Loring, T. A. (2013). Estimating norms of commutators. Experimental Mathematics24(1), 106-122.

Willman, C. L., Harvey, R., Davidson, G. S., Wang, X., Atlas, S. R., Bedrick, E. J., & Chen, I. L. (2013). Identification of novel subgroups of high-risk pediatric precursor B acute lymphoblastic leukemia, outcome correlations and diagnostic and therapeutic methods related to sameU.S. Patent No. 8,568,974. Washington, DC: U.S. Patent and Trademark Office.

Urtishak, K. A., Edwards, A. Y., Wang, Atlas, S. R., L. S., Hudome, A., Robinson, B. W., Barrett, J. S., ... & Felix, C. A. (2013). Potent obatoclax cytotoxicity and activation of triple death mode killing across infant acute lymphoblastic leukemiaBlood121(14), 2689-2703.

Ellingson, S. W., Taylor, G. B., Craig, J., Hartman, J., Dowell, J., Wolfe, C. N., ... & Weiler, K. W. (2013). The LWA1 radio telescopeAntennas and Propagation, IEEE Transactions on61(5), 2540-2549.

Helmboldt, J. F., Clarke, T. E., Craig, J., Ellingson, S. W., Hartman, J. M., Hicks, B. C., ... & Wolfe, C. N. (2013). Passive over-the-horizon radar with WWV and the first station of the Long Wavelength ArrayRadio Sci., submitted.

Ellingson, S. W., Clarke, T. E., Craig, J., Hicks, B. C., Lazio, T. J. W., Taylor, G. B., ... & Wolfe, C. N. (2013). Observations of Crab Giant Pulses in 20-84 MHz using LWA1The Astrophysical Journal768(2), 136.

Dowell, J., Ray, P. S., Taylor, G. B., Blythe, J. N., Clarke, T., Craig, J., ... & Wolfe, C. N. (2013). Detection and Flux Density Measurements of the Millisecond Pulsar J2145–0750 below 100 MHzThe Astrophysical Journal Letters775(1), L28.

Guba, O., Lorenz, J., & Sulsky, D. (2013). On Well-Posedness of the Viscous–Plastic Sea Ice ModelJournal of Physical Oceanography43(10), 2185-2199.

Lorenz, J. (2013). Deterministic and Random Evolution. New York, New York: Nova Science Pub.

Ott, R., & Lorenz, J. (2013). An Example of Self–Acceleration for Incompressible FlowsBoletim da Sociedade Paranaense de Matemática31(2), 149-159.

Zheng, W., Ackley, E. S., Martínez-Ramón, M., & Posse, S. (2013). Spatially aggregated multiclass pattern classification in functional MRI using optimally selected functional brain areasMagnetic resonance imaging31(2), 247-261.

Dyachenko, S. A., Lushnikov, P. M., & Vladimirova, N. (2013). Logarithmic scaling of the collapse in the critical Keller–Segel equationNonlinearity26(11), 3011.

Lushnikov, P. M., Dyachenko, S. A., & Vladimirova, N. (2013). Beyond leading-order logarithmic scaling in the catastrophic self-focusing of a laser beam in Kerr mediaPhysical Review A88(1), 013845.

Miller, P., Vladimirova, N., & Falkovich, G. (2013). Oscillations in a turbulence-condensate systemPhysical Review E87(6), 065202.

Steinkamp, M. P., Winner, K. K., Davies, S., Muller, C., Zhang, Y., Hoffman, R. M., ... & Wilson, B. S. (2013). Ovarian tumor attachment, invasion, and vascularization reflect unique microenvironments in the peritoneum: insights from xenograft and mathematical modelsFrontiers in Oncology3.

Pryor, M. M., Low-Nam, S. T., Halász, Á. M., Lidke, D. S., Wilson, B. S., & Edwards, J. S. (2013). Dynamic transition states of ErbB1 phosphorylation predicted by spatial stochastic modelingBiophysical Journal105(6), 1533-1543.

Li, Y., Suleimanov, Y. V., Yang, M., Green, W. H., & Guo, H. (2012). Ring polymer molecular dynamics calculations of thermal rate constants for the O (3P)+ CH4→ OH+ CH3 reaction: Contributions of quantum effectsThe Journal of Physical Chemistry Letters4(1), 48-52.

Li, J., Jiang, B., & Guo, H. (2013). Enhancement of Bimolecular Reactivity by a Pre-Reaction van der Waals Complex: the case of F+ H2O→ HF+ HOChemical Science4(2), 629-632.

Li, J., & Guo, H. (2013). Quasi‐classical Trajectory Study of F+ H2O→ HF+ OH Reaction: Influence of Barrier Height, Reactant Rotational Excitation, and Isotopic SubstitutionChinese Journal of Chemical Physics26(6), 627-634.

Jiang, B., & Guo, H. (2013). Competition between abstraction and exchange channels in H+ HCN reaction: Full-dimensional quantum dynamicsThe Journal of chemical physics139(22), 224310.

Dawes, R., Lolur, P., Li, A., Jiang, B., & Guo, H. (2013). Communication: An accurate global potential energy surface for the ground electronic state of ozoneThe Journal of chemical physics139(20), 201103.

Jiang, B., & Guo, H. (2013). Control of mode/bond selectivity and product energy disposal by the transition state: X+ H2O (X= H, F, O (3P), and Cl) reactionsJournal of the American Chemical Society135(40), 15251-15256.

Whitehill, A. R., Xie, C., Hu, X., Xie, D., Guo, H., & Ono, S. (2013). Vibronic origin of sulfur mass-independent isotope effect in photoexcitation of SO2 and the implications to the early earth’s atmosphereProceedings of the National Academy of Sciences110(44), 17697-17702.

Ard, S. G., Melko, J. J., Jiang, B., Li, Y., Shuman, N. S., Guo, H., & Viggiano, A. A. (2013). Temperature dependences for the reactions of O2− and O− with N and O atoms in a selected-ion flow tube instrumentThe Journal of chemical physics139(14), 144302.

Nguyen, T. L., Li, J., Dawes, R., Stanton, J. F., & Guo, H. (2013). Accurate determination of barrier height and kinetics for the F+ H2O→ HF+ OH reactionThe Journal of Physical Chemistry A117(36), 8864-8872.

Gao, J., Roehling, J. D., Li, Y., Guo, H., Moulé, A. J., & Grey, J. K. (2013). The effect of 2, 3, 5, 6-tetrafluoro-7, 7, 8, 8-tetracyanoquinodimethane charge transfer dopants on the conformation and aggregation of poly (3-hexylthiophene)Journal of Materials Chemistry C1(36), 5638-5646.

Li, A., Guo, H., Sun, Z., Kłos, J., & Alexander, M. H. (2013). State-to-state quantum dynamics of the F+ HCl (vi= 0, ji= 0)→ HF (vf, jf)+ Cl reaction on the ground state potential energy surfacePhysical Chemistry Chemical Physics15(37), 15347-15355.

Lin, S., Ye, X., Johnson, R. S., & Guo, H. (2013). First-principles investigations of metal (Cu, Ag, Au, Pt, Rh, Pd, Fe, Co, and Ir) doped hexagonal boron nitride nanosheets: stability and catalysis of CO oxidationThe Journal of Physical Chemistry C117(33), 17319-17326.

Li, Y., & Guo, H. (2013). Atomistic simulations of an antimicrobial molecule interacting with a model bacterial membraneTheoretical Chemistry Accounts132(1), 1-8.

Jiang, B., Xie, D., & Guo, H. (2013). Vibrationally mediated bond selective dissociative chemisorption of HOD on Cu (111)Chemical Science4(1), 503-508.

Jiang, B., & Guo, H. (2013). Mode and bond selectivities in methane dissociative chemisorption: Quasi-classical trajectory studies on twelve-dimensional potential energy surfaceThe Journal of Physical Chemistry C117(31), 16127-16135.

Jiang, B., & Guo, H. (2013). Permutation invariant polynomial neural network approach to fitting potential energy surfacesThe Journal of chemical physics139(5), 054112.

Czakó, G., Liu, R., Yang, M., Bowman, J. M., & Guo, H. (2013). Quasiclassical Trajectory Studies of the O (3P)+ CX4 (vk= 0, 1)→ OX (v)+ CX3 (n 1 n 2 n 3 n 4)[X= H and D] Reactions on an Ab Initio Potential Energy SurfaceThe Journal of Physical Chemistry A117(30), 6409-6420.

Prozument, K., Shaver, R. G., Ciuba, M. A., Muenter, J. S., Park, G. B., Stanton, J. F., ... & Field, R. W. (2013). A new approach toward transition state spectroscopyFaraday discussions163, 33-57.

Daranlot, J., Hu, X., Xie, C., Loison, J. C., Caubet, P., Costes, M., ... & Hickson, K. M. (2013). Low temperature rate constants for the N (4 S)+ CH (X 2 Π r) reaction. Implications for N 2 formation cycles in dense interstellar cloudsPhysical Chemistry Chemical Physics15(33), 13888-13896.

Lin, S., Ma, J., Ye, X., Xie, D., & Guo, H. (2013). CO hydrogenation on Pd (111): competition between Fischer–Tropsch and oxygenate synthesis pathwaysThe Journal of Physical Chemistry C117(28), 14667-14676.

Xie, C., Hu, X., Zhou, L., Xie, D., & Guo, H. (2013). Ab initio determination of potential energy surfaces for the first two UV absorption bands of SO2The Journal of chemical physics139(1), 014305.

Jiang, B., Liu, R., Li, J., Xie, D., Yang, M., & Guo, H. (2013). Mode selectivity in methane dissociative chemisorption on Ni (111)Chemical Science4(8), 3249-3254.

Li, A., Li, J., & Guo, H. (2013). Quantum manifestation of roaming in H+ MgH→ Mg+ H2: The birth of roaming resonancesThe Journal of Physical Chemistry A117(24), 5052-5060.

Jiang, B., & Guo, H. (2013). Relative efficacy of vibrational vs. translational excitation in promoting atom-diatom reactivity: Rigorous examination of Polanyi's rules and proposition of sudden vector projection (SVP) modelThe Journal of chemical physics138(23), 234104.

Allen, J. W., Green, W. H., Li, Y., Guo, H., & Suleimanov, Y. V. (2013). Communication: Full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH+ CH4→ CH3+ H2OThe Journal of chemical physics138(22), 221103.

Li, J., & Guo, H. (2013). A new ab initio based global HOOH (13A ″) potential energy surface for the O (3P)+ H2O (X1A1)↔ OH (X2Π)+ OH (X2Π) reactionThe Journal of chemical physics138(19), 194304.

Li, J., Li, Y., & Guo, H. (2013). Communication: Covalent nature of X⋯ H2O (X= F, Cl, and Br) interactionsThe Journal of chemical physics138(14), 141102.

Halevi, B., Lin, S., Roy, A., Zhang, H., Jeroro, E., Vohs, J., ... & Datye, A. K. (2013). High CO2 Selectivity of ZnO Powder Catalysts for Methanol Steam ReformingThe Journal of Physical Chemistry C117(13), 6493-6503.

Li, Y., Suleimanov, Y. V., Li, J., Green, W. H., & Guo, H. (2013). Rate coefficients and kinetic isotope effects of the X+ CH4→ CH3+ HX (X= H, D, Mu) reactions from ring polymer molecular dynamicsThe Journal of chemical physics138(9), 094307.

Li, J., Jiang, B., & Guo, H. (2013). Spin-orbit corrected full-dimensional potential energy surfaces for the two lowest-lying electronic states of FH2O and dynamics for the F+ H2O→ HF+ OH reactionThe Journal of chemical physics138(7), 074309.

Li, J., Jiang, B., & Guo, H. (2013). Reactant Vibrational Excitations Are More Effective than Translational Energy in Promoting an Early-Barrier Reaction F+ H2O→ HF+ OHJournal of the American Chemical Society135(3), 982-985.

Jiang, B., Li, J., Xie, D., & Guo, H. (2013). Effects of reactant internal excitation and orientation on dissociative chemisorption of H2O on Cu (111): Quasi-seven-dimensional quantum dynamics on a refined potential energy surfaceThe Journal of chemical physics138(4), 044704.

Li, A., Xie, C., Xie, D., & Guo, H. (2013). State-to-state quantum dynamics of the O (3P)+ NH (X3Σ−) reaction on the three lowest-lying electronic states of HNO/HONThe Journal of chemical physics138(2), 024308.

2012

Michener, W. K., & Jones, M. B. (2012). Ecoinformatics: supporting ecology as a data-intensive scienceTrends in ecology & evolution27(2), 85-93.

Michener, W. K., Allard, S., Budden, A., Cook, R. B., Douglass, K., Frame, M., ... & Vieglais, D. A. (2012). Participatory design of DataONE—enabling cyberinfrastructure for the biological and environmental sciencesEcological Informatics11, 5-15.

Allard, S. (2012). DataONE: Facilitating eScience through collaborationJournal of eScience Librarianship1(1), 3.

Espinoza, F. A., Wester, M. J., Oliver, J. M., Wilson, B. S., Andrews, N. L., Lidke, D. S., & Steinberg, S. L. (2012). Insights into Cell Membrane Microdomain Organization from Live Cell Single Particle Tracking of the IgE High Affinity Receptor FcϵRI of Mast CellsBulletin of mathematical biology,74(8), 1857-1911.

Archuleta, M. N., McDermott, J. E., Edwards, J. S., & Resat, H. (2012). An adaptive coarse graining method for signal transduction in three dimensionsFundamenta informaticae118(4).

Singh, A. P., Andries, E., Edwards, J. S., & Steinberg, S. (2012). The Shuttling Scaffold Model for Prevention of Yeast Pheromone Pathway MisactivationBulletin of mathematical biology74(12), 2861-2874.

Snider, M. A., & Poroseva, S. V. (2012, August). Sensitivity study of turbulent flow simulations over a rotating disk. In 42nd AIAA Fluid Dynamics Conference and Exhibit Proceedings.

Taylor, G. B., Ellingson, S. W., Kassim, N. E., Craig, J., Dowell, J., Wolfe, C. N., ... & Wood, D. L. (2012). First light for the first station of the Long Wavelength ArrayJournal of Astronomical Instrumentation1(01), 1250004.

Dowell, J., Wood, D., Stovall, K., Ray, P. S., Clarke, T., & Taylor, G. (2012). The long wavelength array software libraryJournal of Astronomical Instrumentation1(01), 1250006.

Vladimirova, N., Derevyanko, S., & Falkovich, G. (2012). Phase transitions in wave turbulencePhysical Review E85(1), 010101.

Zhu, X., Ma, J., Yarkony, D. R., & Guo, H. (2012). Computational determination of the A state absorption spectrum of NH3 and of ND3 using a new quasi-diabatic representation of the X and A states and full six-dimensional quantum dynamicsThe Journal of Chemical Physics136(23), 234301.

Lin, S., Xie, D., & Guo, H. (2012). First-principles study of the methyl formate pathway of methanol steam reforming on PdZn (111) with comparison to Cu (111)Journal of Molecular Catalysis A: Chemical356, 165-170.

Li, J., Wang, Y., Jiang, B., Ma, J., Dawes, R., Xie, D., ... & Guo, H. (2012). Communication: A chemically accurate global potential energy surface for the HO+ CO→ H+ CO2 reactionThe Journal of Chemical Physics136(4), 041103.

Corchado, J. C., Espinosa-Garcia, J., Li, J., & Guo, H. (2012). CO2 Vibrational State Distributions From Quasi-Classical Trajectory Studies of the HO+ CO→ H+ CO2 Reaction and H+ CO2 Inelastic CollisionThe Journal of Physical Chemistry A117(46), 11648-11654.

Liu, R., Yang, M., Czakó, G., Bowman, J. M., Li, J., & Guo, H. (2012). Mode selectivity for a “central” barrier reaction: Eight-dimensional quantum studies of the O (3P)+ CH4→ OH+ CH3 reaction on an ab initio potential energy surfaceThe Journal of Physical Chemistry Letters3(24), 3776-3780.

Zhou, L., Jiang, B., Xie, D., & Guo, H. (2012). State-to-state photodissociation dynamics of H2O in the B-band: competition between two coexisting nonadiabatic pathwaysThe Journal of Physical Chemistry A117(32), 6940-6947.

Lin, S., Ma, J., Zhou, L., Huang, C., Xie, D., & Guo, H. (2012). Influence of step defects on methanol decomposition: periodic density functional studies on Pd (211) and kinetic Monte Carlo simulationsThe Journal of Physical Chemistry C117(1), 451-459.

Li, J., Dawes, R., & Guo, H. (2012). An ab initio based full-dimensional global potential energy surface for FH2O (X2A′) and dynamics for the F+ H2O→ HF+ HO reactionThe Journal of chemical physics137(9), 094304.

Ma, J., Zhu, X., Guo, H., & Yarkony, D. R. (2012). First principles determination of the NH2/ND2 (Ã, X̃) branching ratios for photodissociation of NH3/ND3 via full-dimensional quantum dynamics based on a new quasi-diabatic representation of coupled ab initio potential energy surfacesThe Journal of chemical physics137(22), 22A541.

Ma, J., Li, J., & Guo, H. (2012). Tunneling Facilitated Dissociation to H+ CO 2 in HOCO− PhotodetachmentPhysical review letters109(6), 063202.

Li, J., Xie, C., Ma, J., Wang, Y., Dawes, R., Xie, D., ... & Guo, H. (2012). Quasi-Classical Trajectory Study of the HO+ CO→ H+ CO2 Reaction on a New ab Initio Based Potential Energy SurfaceThe Journal of Physical Chemistry A,116(21), 5057-5067.

Jiang, B., Ren, X., Xie, D., & Guo, H. (2012). Enhancing dissociative chemisorption of H2O on Cu (111) via vibrational excitationProceedings of the National Academy of Sciences109(26), 10224-10227.

2011

Tenopir, C., Allard, S., Douglass, K., Aydinoglu, A. U., Wu, L., Read, E., ... & Frame, M. (2011). Data sharing by scientists: practices and perceptionsPloS one6(6), e21101.

Michener, W., Vieglais, D., Vision, T., Kunze, J., Cruse, P., & Janée, G. (2011). Dataone: Data observation network for earth-preserving data and enabling innovation in the biological and environmental sciencesD-Lib Magazine17(1), 3.

Reichman, O. J., Jones, M. B., & Schildhauer, M. P. (2011). Challenges and opportunities of open data in ecologyScience331(6018).

Costa, M. N., Radhakrishnan, K., & Edwards, J. S. (2011). Monte Carlo simulations of plasma membrane corral-induced EGFR clusteringJournal of biotechnology151(3), 261-270.

Zhou, Y. E., O’rourke, J. P., Edwards, J. S., & Ness, S. A. (2011). Single molecule analysis of c-Myb alternative splicing reveals novel classifiers for precursor B-ALLPloS one6(8), e22880.

Ho, A., Murphy, M., Wilson, S., Atlas, S. R., & Edwards, J. S. (2011). Sequencing by ligation variation with endonuclease V digestion and deoxyinosine-containing query oligonucleotidesBMC genomics12(1), 598.

Nilmeier, J., Hua, L., Coutsias, E. A., & Jacobson, M. P. (2011). Assessing protein loop flexibility by hierarchical Monte Carlo sampling. Journal of chemical theory and computation7(5), 1564-1574.

Ko, J., Lee, D., Park, H., Coutsias, E. A., Lee, J., & Seok, C. (2011). The FALC-Loop web server for protein loop modeling. Nucleic acids research, gkr352.

Erdei, E., Sheng, H., Maestas, E., Mackey, A., White, K. A., Li, L., ... & Morse, D. E. (2011). Self-reported ethnicity and genetic ancestry in relation to oral cancer and pre-cancer in Puerto RicoPloS one6(8), e23950.

Ho, A., Murphy, M., Wilson, S., Atlas, S. R., & Edwards, J. S. (2011). Sequencing by ligation variation with endonuclease V digestion and deoxyinosine-containing query oligonucleotides. BMC Genomics12(1), 598.

Meng, X., Matlawska-Wasowska, K., Girodon, F., Mazel, T., Willman, C. L., Atlas, S., ... & Wilson, B. S. (2011). GSI-I (Z-LLNle-CHO) inhibits γ-secretase and the proteosome to trigger cell death in precursor-B acute lymphoblastic leukemia. Leukemia25(7), 1135-1146.

Guba, O., & Lorenz, J. (2011). Continuous spectra and numerical eigenvaluesMathematical and Computer Modelling54(11), 2616-2622.

Ke, Z., Guo, H., Xie, D., Wang, S., & Zhang, Y. (2011). Ab initio QM/MM free-energy studies of arginine deiminase catalysis: the protonation state of the Cys nucleophileThe Journal of Physical Chemistry B115(13), 3725-3733.

Li, Z., Xie, C., Jiang, B., Xie, D., Liu, L., Sun, Z., ... & Guo, H. (2011). Quantum and quasiclassical state-to-state dynamics of the NH+ H reaction: Competition between abstraction and exchange channelsThe Journal of Chemical Physics134(13), 134303.

Lin, S., Johnson, R. S., Smith, G. K., Xie, D., & Guo, H. (2011). Pathways for methanol steam reforming involving adsorbed formaldehyde and hydroxyl intermediates on Cu (111): density functional theory studiesPhysical Chemistry Chemical Physics13(20), 9622-9631.

Lin, S., Johnson, R. S., Smith, G. K., Xie, D., & Guo, H. (2011). Pathways for methanol steam reforming involving adsorbed formaldehyde and hydroxyl intermediates on Cu (111): density functional theory studiesPhysical Chemistry Chemical Physics13(20), 9622-9631.

Wang, X., Wu, S., Xu, D., Xie, D., & Guo, H. (2011). Inhibitor and substrate binding by angiotensin-converting enzyme: quantum mechanical/molecular mechanical molecular dynamics studiesJournal of Chemical Information and Modeling51(5), 1074-1082.

Li, A., Xie, C., Xie, D., & Guo, H. (2011). A global ab initio potential energy surface for HNO (a3A ″) and quantum mechanical studies of vibrational states and reaction dynamicsThe Journal of Chemical Physics134(19), 194309.

Wang, L., Xie, D., Guo, H., Li, H., Le Roy, R. J., & Roy, P. N. (2011). Superfluid response of 4 HeN–N 2 O clusters probed by path integral Monte Carlo simulationsJournal of Molecular Spectroscopy267(1), 136-143.

Jiang, B., Xie, D., & Guo, H. (2011). Communication: State-to-state differential cross sections for H2O (B̃) photodissociationThe Journal of chemical physics,134(23), 231103.

Johnson, C. M., Monzingo, A. F., Ke, Z., Yoon, D. W., Linsky, T. W., Guo, H., ... & Fast, W. (2011). On the mechanism of dimethylarginine dimethylaminohydrolase inactivation by 4-halopyridinesJournal of the American Chemical Society133(28), 10951-10959.

Ke, Z., Smith, G. K., Zhang, Y., & Guo, H. (2011). Molecular mechanism for eliminylation, a newly discovered post-translational modificationJournal of the American Chemical Society133(29), 11103-11105.

Ma, J., & Guo, H. (2011). Full-dimensional quantum state resolved predissociation dynamics of HCO 2 prepared by photodetaching HCO 2−Chemical Physics Letters511(4), 193-195.

Dawes, R., Lolur, P., Ma, J., & Guo, H. (2011). Communication: Highly accurate ozone formation potential and implications for kineticsThe Journal of Chemical Physics135(8), 081102.

Jiang, B., Xie, D., & Guo, H. (2011). Calculation of multiple initial state selected reaction probabilities from Chebyshev flux-flux correlation functions: Influence of reactant internal excitations on H+ H2O→ OH+ H2The Journal of Chemical Physics135(8), 084112.

Wu, S., Zhang, C., Cao, R., Xu, D., & Guo, H. (2011). pH-Dependent reactivity for glycyl-L-tyrosine in carboxypeptidase-A-catalyzed hydrolysisThe Journal of Physical Chemistry B115(34), 10360-10367.

Lin, S., Xie, D., & Guo, H. (2011). Methyl Formate Pathway in Methanol Steam Reforming on Copper: Density Functional CalculationsAcs Catalysis1(10), 1263-1271.

Lin, S., Xie, D., & Guo, H. (2011). Pathways of methanol steam reforming on PdZn and comparison with CuThe Journal of Physical Chemistry C

Smith, G. K., Ke, Z., Guo, H., & Hengge, A. C. (2011). Insights into the phosphoryl transfer mechanism of cyclin-dependent protein kinases from ab initio QM/MM free-energy studies. The Journal of Physical Chemistry B(46), 13713-13722. The Journal of Physical Chemistry B,115(46), 13713-13722.

Thomas, P. W., Zheng, M., Wu, S., Guo, H., Liu, D., Xu, D., & Fast, W. (2011). Characterization of purified New Delhi metallo-β-lactamase-1Biochemistry (46), 10102-10113.

Daranlot, J., Jorfi, M., Xie, C., Bergeat, A., Costes, M., Caubet, P., ... & Hickson, K. M. (2011). Revealing atom-radical reactivity at low temperature through the N+ OH reaction Science334(6062), 1538-1541.

2010

Lombardi, P., & Wester, M. J. (2010). Serial mistakes in Stravinsky’s Requiem CanticlesMathematics and Computers in Simulation80(6), 1185-1199.

Hsieh, M. Y., Yang, S., Raymond-Stinz, M. A., Edwards, J. S., & Wilson, B. S. (2010). Spatio-temporal modeling of signaling protein recruitment to EGFRBMC systems biology4(1), 57.

Martin, S., Thompson, A., Coutsias, E. A., & Watson, J. P. (2010). Topology of cyclo-octane energy landscapeThe journal of chemical physics132(23), 234115.

Lee, J., Lee, D., Park, H., Coutsias, E. A., & Seok, C. (2010). Protein loop modeling by using fragment assembly and analytical loop closure. Proteins: Structure, Function, and Bioinformatics78(16), 3428-3436.

Kang, H., Wilson, C. S., Harvey, R. C., Chen, I., Murphy, M. H., Atlas, S. R., ... & Willman, C. L. (2010, November). Gene Expression Profiling Reveals Genes Predictive of Outcome In Infant Acute Lymphoblastic Leukemia (ALL) and Distinctive Age-Related Gene Expression Profiles (< 90 Days vs.> 90 Days): A Children's Oncology Group Study. In BLOOD (Vol. 116, No. 21, pp. 183-184). 1900 M STREET. NW SUITE 200, WASHINGTON, DC 20036 USA: AMER SOC HEMATOLOGY.

Harvey, R. C., Mullighan, C. G., Wang, X., Dobbin, K. K., Davidson, G. S., Bedrick, E. J., Atlas, S. R., ... & Willman, C. L. (2010). Identification of novel cluster groups in pediatric high-risk B-precursor acute lymphoblastic leukemia with gene expression profiling: correlation with genome-wide DNA copy number alterations, clinical characteristics, and outcomeBlood116(23), 4874-4884.

Kang, H., Chen, I. M., Wilson, C. S., Bedrick, E. J., Harvey, R. C., Atlas, S. R., ... & Willman, C. L. (2010). Gene expression classifiers for relapse-free survival and minimal residual disease improve risk classification and outcome prediction in pediatric B-precursor acute lymphoblastic leukemia. Blood115(7), 1394-1405.

Lushnikov, P. M., & Vladimirova, N. (2010). Non-Gaussian statistics of multiple filamentationOptics Letters35(12), 1965-1967.

Sun, Z., Liu, L., Lin, S. Y., Schinke, R., Guo, H., & Zhang, D. H. (2010). State-to-state quantum dynamics of O + O2 isotope exchange reactions reveals non-statistical behavior at atmospheric conditionsProceedings of the National Academy of Sciences107(2), 555-558.

Sun, Z., Guo, H., & Zhang, D. H. (2010). Extraction of state-to-state reactive scattering attributes from wave packet in reactant Jacobi coordinatesJournal of Chemical Physics, 132, 084112.

Wu, S., Zhang, C., Xu, D., & Guo, H. (2010). Catalysis of carboxypeptidase A: Promoted water vs. nucleophilic pathwaysThe Journal of Physical Chemistry B114(28), 9259-9267.

Ma, J., Lin, S. Y., Guo, H., Sun, Z., Zhang, D. H., & Xie, D. (2010). State-to-state quantum dynamics of the O(3P) + OH(2Π) → H(2S) + O2(3Σ-g) reactionJournal of Chemical Physics, 133, 054302 (cover article and one of 20 most-read articles in Journal of Chemical Physics 2010).

Lin, S. Y., Guo, H., Jiang, B., Zhou, S., & Xie, D. (2010). Non-Born-Oppenheimer state-to-state dynamics of the N(2D) + H2 → NH( ) + H reaction: Influence of the Renner-Teller couplingThe Journal of Physical Chemistry A114(36), 9655-9661 (invited article in the Schinke Festschrift).

Li, A., Xie, D., Dawes, R., Jasper, A. W., Ma, J., & Guo, H. (2010). Global potential energy surface, vibrational spectrum, and reaction dynamics of the first excited (Ã A2′) state of HO2The Journal of Chemical Physics133(14), 144306.

Wu, S., Xu, D., & Guo, H. (2010). QM/MM studies of mono-zinc β-lactamase CphA suggest that the crystal structure of an enzyme-intermediate complex represents a minor pathwayJournal of the American Chemical Society132(51), 17986-17988.

2009

Lai, W., Lin, S. Y., Xie, D., & Guo, H. (2009). Nonadiabatic Dynamics of Ã-State Photodissociation of Ammonia: A Four-Dimensional Wave Packet StudyThe Journal of Physical Chemistry A114(9), 3121-3126.

Radhakrishnan, K., Edwards, J. S., Lidke, D. S., Jovin, T. M., Wilson, B. S., & Oliver, J. M. (2009). Sensitivity analysis predicts that the ERK–pMEK interaction regulates ERK nuclear translocationIET systems biology3(5), 329-341.

Mullighan, C. G., Zhang, J., Harvey, R. C., Collins-Underwood, Atlas, S. R., J. R., Schulman, B. A., Phillips, L. A., ... & Willman, C. L. (2009). JAK mutations in high-risk childhood acute lymphoblastic leukemia. Proceedings of the National Academy of Sciences106(23), 9414-9418.

Costa, M. N., Radhakrishnan, R., Wilson, B., Vlachos, D.G., Edwards, J. S., (2009). The Importance of Spatial Organization in ErbB Signal Transduction. PLoS One.

2008

Beyn, W. J., & Lorenz, J. (2008). Nonlinear stability of rotating patternsDynamics of Partial Differential Equations5(4), 349-400.