Publications and acknowledgement
CARC
Please use the following statement when acknowledging
We would like to thank the UNM Center for Advanced Research Computing, supported in part by the National Science Foundation, for providing the {high performance computing, large-scale storage, visualization} resources used in this work.
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 link
2020
Nieman, R., Spezia, R., Jayee, B., Minton, T. K., Hase, W. L., & Guo, H. (2020). Exploring reactivity and product formation in N(4S) collisions with pristine and defected graphene with direct dynamics simulations. The Journal of Chemical Physics, 153(18). https://aip.scitation.org/doi/abs/10.1063/5.0028253
Widener, P. M., Dominguez-Trujillo, J., Haskins, K., Khouzani, S. J., Leap, C., Tashakkori, S. . . . & Bridges, P. G. (2020). Lightweight measurement and analysis of HPC performance variability. Paper presented at 2020 IEEE/ACM Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS). https://conferences.computer.org/scwpub/pdfs/PMBS2020-Kdz66u360uUxzswgvUnqs/104800a050/104800a050.pdf
Bhattarai, M., & Martínez-Ramón, M. (2020). A deep Q-Learning based path planning and navigation system for firefighting environments. ArXiv. https://arxiv.org/pdf/2011.06450.pdf
Gonzales, I., Leung, K., Percival, S. J., Parks, J. E., Lu, P., Atanassov, P. & Chou, S. S. (2020). Evaluation of defective 2H MoS2 nanosheets as electrocatalysts for hydrogen evolution and nitrogen reduction reactions. (Publication No. LA-UR-20-23182). https://permalink.lanl.gov/object/tr?what=info%3Alanl-repo%2Flareport%2FLA-UR-20-23182
Zuo, J. & Guo, H. (2020). Time-independent quantum theory on vibrational inelastic scattering between atoms and open-shell diatomic molecules: Applications to NO + Ar and NO + H scattering. The Journal of Chemical Physics, 153(14). https://aip.scitation.org/doi/abs/10.1063/5.0026637
Lu, L., Loker, E. S., Adema, C. M., Zhang, S., & Bu, L. (2020). Genomic and transcriptional analysis of genes containing fibrinogen and IgSF domains in the schistosome vector Biomphalaria glabrata, with emphasis on the differential responses of snails susceptible or resistant to Schistosoma mansoni. PLOS Neglected Tropical Diseases, 14(10). https://doi.org/10.1371/journal.pntd.0008780
Feliciano, M. A. M, & Gold, B. (2020). Unique, yet Typical Oxyanion Holes in Aspartic Proteases. ACS Catalysis, (pp. 14201-14209). https://doi.org/10.1021/acscatal.0c03624
Kirk, M. L., Dangi, R., Habel-Rodriguez, D., Yang, J., Shultz, D. A., & Zhang, J. (2020). Transferrable property relationships between magnetic exchange coupling and molecular conductance. Chemical Science. https://pubs.rsc.org/en/content/articlelanding/2020/SC/D0SC04350H#!divAbstract
Talaat, K., Cowen, B., & Anderoglu, O. (2020). Method of information entropy for convergence assessment of molecular dynamics simulations. Journal of Applied Physics, 128(13). https://aip.scitation.org/doi/full/10.1063/5.0019078
Han, S., Wang, Y., Guan, Y., Yarkony, D. R., Guo, H. (2020). Impact of diabolical singular points on nonadiabatic dynamics and a remedy: Photodissociation of ammonia in the first band. Journal of Chemical Theory and Computation.https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00811
Matanovic, I., Leung, K., Percival, S. J., Park, J. E., Lu, P., Atanassov, P., & Chou, S. S. (2020). Towards defect engineering in hexagonal MoS2 nanosheets for tuning hydrogen evolution and nitrogen reduction reactions. Applied Materials Today, 21. https://www.sciencedirect.com/science/article/abs/pii/S2352940720302602#
Lu, Q., Fricke, G. M., Ericksen, J. C., & Moses, M. E. (2020). Swarm Foraging Review: Closing the Gap Between Proof and Practice. Current Robotics Reports. https://link.springer.com/article/10.1007/s43154-020-00018-1
Han, S., Gunthardt, C. E., Dawes, R., Xie, D., North, S. W., & Guo, H. (2020). Origin of the “odd” behavior in the ultraviolet photochemistry of ozone. Proceedings of the National Academy of Sciences of the United States of America. https://www.pnas.org/content/early/2020/08/11/2006070117
Cuartero-González, A., Sanders, S., Zundel, L., Fernandez-Dominguez, A. I., & Manjavacas, A. (2020). Super- and Subradiant Lattice Resonances in Bipartite Nanoparticle Arrays. ACS Nano. https://pubs.acs.org/doi/pdf/10.1021/acsnano.0c04795#
Chen, J., Li, J., Bowman, J. M., & Guo, H. (2020). Energy transfer between vibrationally excited carbon monoxide based on a highly accurate six-dimensional potential energy surface. The Journal of Chemical Physics, 153(5). https://aip.scitation.org/doi/full/10.1063/5.0015101
Noakoasteen, O., Wang, S., Peng, Z., & Christodoulou, C. (2020). Physics-Informed Deep Neural Networks for Transient Electromagnetic Analysis. IEEE Open Journal of Antennas and Propagation. https://ieeexplore.ieee.org/document/9158400/authors#authors
Liu, Y., Asset, T., Chen, Y., Murphy, E., Potma, E. O., Matanovic, I., Fishman, D. A., & Atanassov, P. (2020). Simple all-optical method for in situ detection of ultralow amounts of ammonia. Arxiv. https://arxiv.org/ftp/arxiv/papers/2007/2007.08446.pdf
Kim, A., & Degnan, J. (2020). PRANC: ML species tree estimation from the ranked gene trees under coalescence. Bioinformatics, btaa605. https://academic.oup.com/bioinformatics/article-abstract/doi/10.1093/bioinformatics/btaa605/5865852
Yang, D., Huang, J., Hu, X., Xie, D., & Guo, H. (2020). Statistical quantum mechanical approach to diatom–diatom capture dynamics and application to ultracold KRb + KRb reaction. The Journal of Chemical Physics, 152(24). https://aip.scitation.org/doi/full/10.1063/5.0014805
Robinson, A. J., Natvig, D. O., & Chain, P. S. G. (2020). Genomic Analysis of Diverse Members of the Fungal Genus Monosporascus Reveals Novel Lineages, Unique Genome Content and a Potential Bacterial Associate. G3: Genes, Genomes, Genetics, 10(6). https://www.g3journal.org/content/early/2020/06/24/g3.120.401489
Ericksen, J., Aggarwal, A., Fricke, G. M., & Moses, M. E. (2020). LoCUS: A loss-tolerant volcano survey algorithm. IEEE Robotics and Computing Conference (IRC). http://fricke.co.uk/Research/EricksenIRC2020.pdf
Botvinik-Nezer, R., Holzmeister, F., Camerer, C. F., Dreber, A., Huber, J., Johannesson, M., Kirchler, M., Iwanir, R., Mumford, J. A., Adcock, R. A., Avesani, P., Baczkowski, B. M., Bajracharya, A., Bakst, L., Ball, S., Barilari, M., Bault, N., Beaton, D., Beitner, J., . . . Schonberg, T. (2020). Variability in the analysis of a single neuroimaging dataset by many teams. Nature, 2020. https://www.nature.com/articles/s41586-020-2314-9
Nikravesh, S., Ryu, D., & Shen, Y. L. (2020). Instability driven surface patterns: Insights from direct three-dimensional finite element simulations. Extreme Mechanics Letters, 39. https://www.sciencedirect.com/science/article/pii/S2352431620301085?via%3Dihub
Ajith, M., Kurup, A. R., Martínez-Ramón, M. (2020). Time accelerated image super-resolution using shallow residual feature representative network. Arxiv. https://arxiv.org/pdf/2004.04093.pdf
Campbell, L. T., Freund, H. P., Henderson, J. R., McNeil, B. W. J., Traczykowski, P., & van der Slot, P. J. M. (2020). Analysis of ultra-short bunches in free-electron lasers. Arxiv. https://arxiv.org/ftp/arxiv/papers/2003/2003.14256.pdf
Cavanagh, J. F., & Castellanos, J. (2020) Identification of canonical neural events during continuous gameplay of an 8-bit style video game. NeuroImage, 133(2016), 1-13. https://www.sciencedirect.com/science/article/abs/pii/S1053811916001932?via%3Dihub
Boyd, S. T. P., Kim, G. B., Hall, J. A., Cantor, R. H., & Friedrich, S. (2020). Metallic Magnetic Calorimeters for High‑Accuracy Nuclear Decay Data. Journal of Low Temperature Physics. https://rd-springer-com.libproxy.unm.edu/article/10.1007/s10909-020-02406-5#?
Moreu, F., Maharjan, D., Zhu, C., & Wyckoff, E. (2020). Monitoring Human Induced Floor Vibrations for Quantifying Dance Moves: A Study of Human–Structure Interaction. Frontiers in Built Environment, 6(36), 1-10. https://www.frontiersin.org/articles/10.3389/fbuil.2020.00036/full
Yang, D., Zou, J., Huang, J., Hu, X., Dawes, R., Xie, D., & Guo, H. (2020). A Global Full-Dimensional Potential Energy Surface for the K2Rb2 Complex and Its Lifetime. The Journal of Physical Chemistry Letters, 2020. https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.0c00518
Lu, L., Loker, E. S., Zhang, S. M., Buddenborg, S. K. & Bu, L. (2020). Genome-wide discovery, and computational and transcriptional characterization of an AIG gene family in the freshwater snail Biomphalaria glabrata, a vector for Schistosoma mansoni. BMC Genomics 21(190). https://bmcgenomics.biomedcentral.com/articles/10.1186/s12864-020-6534-z#citeas
Dunning, D., Marts, W., Robey, R. W., & Bridges, P. (2020). Adaptive mesh refinement in the fast lane. Journal of Computational Physics, 406. https://www.sciencedirect.com/science/article/pii/S0021999119308988?via%3Dihub
Livshits, M. Y., Reeves, B. J., DeWeerd, N. J., Strauss, S. H., Boltalina, O. V., & Rack, J. J. (2020). Trifluoromethylated Phenanthroline Ligands Reduce Excited-State Distortion in Homoleptic Copper(I) Complexes. Inorganic Chemistry. https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.9b03146
Del Cueto, M., Zhou, X., Zhou, L., Zhang, Y., Jiang, B., & Guo, H. (2020). New Perspectives on CO2-Pt(111) Interaction with a High-Dimensional Neural Network Potential Energy Surface. Journal of Physical Chemistry C. https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.9b10883
Morris, J., Cowen, B. J., Teysseyre, S., & Hecht, A.A. (2020). Molecular dynamics investigation of threshold displacement energies in CaF2. Computational Materials Science, 172. https://www.sciencedirect.com/science/article/pii/S0927025619305920?via%3Dihub#m0005
Ingersol, L. J., Yang, J., KC, K., Pokhrel, A., Astashkin, A. V., Weiner, J. H., Johnston, C. A., & Kirk, M. L. (2020). Addressing Ligand-Based Redox in Molybdenum-Dependent Methionine Sulfoxide Reductase. Journal of the American Chemical Society, 142(6), 2721-2725. https://pubs.acs.org/doi/abs/10.1021/jacs.9b11762
Davis, I., Taylor, G. B., & Dowell, J. (2020). Observing Flare Stars Below 100 MHz with the LWA. Monthly Notices of the Royal Astronomical Society, submitted.
Marquardt, K., Cavanagh, J. F., & Brigman, J. L. (2020). Alcohol exposure in utero disrupts cortico-striatal coordination required for behavioral flexibility. Neuropharmacology, 162. https://www.sciencedirect.com/science/article/pii/S0028390819303983
2019
Sanders, S., & Manjavacas, A. (2019). Nanoantennas with balanced gain and loss. Nanophotonics, 9(2). https://www.degruyter.com/view/j/nanoph.ahead-of-print/nanoph-2019-0392/nanoph-2019-0392.xml
Noormofidi, V., Atlas, S. R., & Duan, H. (2019). Simulating collective neutrinos oscillations on the Intel Many Integrated Core (MIC) architecture. arXiv. https://arxiv.org/pdf/1912.10596.pdf
Xie, C., Zhao, B., Malbon, C. L., Yarkony, D. R., Xie, D., & Guo, H. (2019). Insights into the Mechanism of Nonadiabatic Photodissociation from Product Vibrational Distributions. The Remarkable Case of Phenol. The Journal of Physical Chemistry Letters, 11(1), 191-198. https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.9b03407
Lee, S. (2019, November). Numerical Perspectives on Wind Turbine Wakes. Paper presented at the 72nd Annual Meeting of the American Physical Society Division of Fluid Dynamics, Seattle, WA. Abstract retrieved from http://absimage.aps.org/image/DFD19/MWS_DFD19-2019-003658.pdf
Byrne, C. F., Stone, M. C., & Morrison, R. R. (2019). Scalable flux metrics at the channel-floodplain interface as indicators of lateral surface connectivity during flood events. Water Resources Research, 55(11), 9788-9807. https://agupubs.onlinelibrary.wiley.com/doi/abs/10.1029/2019WR026080
Kent, J., Beardsley, A. P., Bester, L., Gull, S. F., Nikolic, B., Dowell, J., . . . & Bowman, J. (2019). Direct Wide-Field Radio Imaging in Real-Time at High Time Resolution using Antenna Electric Fields. Arxiv. https://arxiv.org/pdf/1909.03973.pdf
Ruan, D., Taylor, G., Dowell, J., & Stovall, K. (2019). Discovery of a Pulsar Wind Nebula Around B0950+08. Monthly Notices of the Royal Astronomical Society, Submitted. http://www.phys.unm.edu/~lwa/users19/presentations/Ruan_Discovery%20of%20a%20Pulsar%20Wind%20Nebula%20Around%20B0950+08.pdf
Varghese, S. S., Obenberger, K., Taylor, G., & Dowell, J. (2019). Studying Meteor Radio Afterglows (MRAs) with the Long Wavelength Array. JGR Space Physics, submitted. http://www.phys.unm.edu/~lwa/users19/presentations/Varghese_lwa_user_meeting.pdf
Shi, Y., Wang, M., Shi, W., Lee, J. H., Kang, H., & Jiang, H. (2019). Accurate and efficient estimation of small P-values with the cross-entropy method: applications in genomic data analysis. Bioinformatics, 35(14), 2441-2448. https://academic.oup.com/bioinformatics/article/35/14/2441/5232222
Vangara, R., Stoltzfus, K., York, M. R., van Swol, F., & Petsev, D. N. (2019). Coulombic and non-Coulombic effects in charge-regulating electric double layers. Materials Research Express, 6(8). https://iopscience.iop.org/article/10.1088/2053-1591/ab2791/meta
Bansal, K., Taylor, G. B., Stovall, K., & Dowell, J. (2019). Scattering Study of Pulsars below 100MHz Using LWA1. The Astrophysical Jounal, 875(146). https://iopscience.iop.org/article/10.3847/1538-4357/ab0d8f/pdf
Varghese, S. S., Obenberger, K. S., Dowell, J., & Taylor, G. B. (2019). Detection of a Low-frequency Cosmic Radio Transient Using Two LWA Stations. The Astrophysical Journal, 874(151). https://iopscience.iop.org/article/10.3847/1538-4357/ab07c6/pdf
Cosburn, K., Roy, M., Guardincerri, E., & Rowe, C. (2019). Joint inversion of gravity with cosmic ray muon data at a well-characterized site for shallow subsurface density prediction. Geophysical Journal International, 217(3), 1988-2002. https://academic.oup.com/gji/article/217/3/1988/5372435
Foteinopoulou, S., Devarapu, G. C. R., Subramania, G. S., Krishna, S., & Wasserman, D. (2019). Phonon-polaritonics: enabling powerful capabilities for infrared photonics. Nanophotonics, 8(12). https://www.degruyter.com/view/j/nanoph.ahead-of-print/nanoph-2019-0232/nanoph-2019-0232.xml
Fazel, M., Wester, M. J., Mazloom-Farsibaf, H., Meddens, M. B. M., Eklund, A. S., Schlichthaerle, T., & Lidke, K. A. (2019). Bayesian Multiple Emitter Fitting using Reversible Jump Markov Chain Monte Carlo. Scientific Reports, 9(1), 13791. https://www.nature.com/articles/s41598-019-50232-x#Ack1
Cowen, B. J., El-Genk, M. S., Hattar, K., & Briggs, S. A. (2019). Investigations of irradiation effects in crystalline and amorphous SiC. Journal of Applied Physics, 126(13), 135902. https://aip.scitation.org/doi/10.1063/1.5085216
Ajith, M., & Martínez-Ramón, M. (2019). Unsupervised Segmentation of Fire and Smoke from Infra-Red Videos. arXiv. https://arxiv.org/pdf/1909.12937.pdf
McCullough, J. M., Moyle, R. G., Smith, B. T., & Andersen, M. J. (2019). A Laurasian origin for a pantropical bird radiation is supported by genomic and fossil data (Aves: Coraciiformes). Proceedings of the Royal Society B: Biological Sciences, 286(1910). https://royalsocietypublishing.org/doi/full/10.1098/rspb.2019.0122
Mineva, T., Matanovic, I., Atanassov, P., Sougrati, M.T., Stievano, L., Clémancey, M., & Jaouen, F. (2019). Understanding Active Sites in Pyrolyzed Fe–N–C Catalysts for Fuel Cell Cathodes by Bridging Density Functional Theory Calculations and 57Fe Mössbauer Spectroscopy. ACS Catalysis, 9(10), 9359-9371. https://pubs.acs.org/doi/abs/10.1021/acscatal.9b02586
Manjavacas, A., Zundel, L., & Sanders, S. (2019). Analysis of the Limits of the Near-Field Produced by Nanoparticle Arrays. ASC Nano, 13(9), 10682-10693. https://pubs.acs.org/doi/abs/10.1021/acsnano.9b05031
Loring, T. (2019). Bulk spectrum and K-theory for infinite-area topological quasicrystals. Journal of Mathematical Physics, 60(8), 081903. https://aip.scitation.org/doi/full/10.1063/1.5083051
Loring, T. (2019). A Guide to the Bott Index and Localizer Index. ArXiv. https://arxiv.org/pdf/1907.11791.pdf
Palomino, L. M., & El-Genk, M. (2019). Friction factor correlation for hexagonal bundles of bare tubes/rods and with flat and scalloped walls. Nuclear Engineering and Design, 353. https://www.sciencedirect.com/science/article/pii/S0029549318310860
Zhou, X., Jiang, B., & Guo, H. (2019). Dissociative Chemisorption of Methane on Stepped Ir(332) Surface: Density Functional Theory and Ab Initio Molecular Dynamics Studies. The Journal of Physical Chemistry C, 123(34), 20893-20902. https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.9b04651
Rajendra Kurup, A., Ajith, M., & Martínez-Ramón, M. (2019). Semi-supervised facial expression recognition using reduced spatial features and Deep Belief Networks. Neurocomputing, 367, 188-197. https://www.sciencedirect.com/science/article/pii/S0925231219311579
Hutchinson, M. I., Powell, A. J., Herrera, J., & Natvig, D. O. (2019). New Perspectives on the Distribution and Roles of Thermophilic Fungi. In S. M. Tiquia-Arashiro & M. Grube (Eds.), Fungi in Extreme Environments: Ecological Role and Biotechnological Significance, (59-80). Cham, Switzerland: Springer, Cham
Liphardt, S. W., Kang, H. J., Dizney, L. J., Ruedas, L. A., Cook, J. A., & Yanagihara, R. (2019). Complex History of Codiversification and Host Switching of a Newfound Soricid-Borne Orthohantavirus in North America. Viruses, 11(7), 637. https://www.mdpi.com/1999-4915/11/7/637
Sanders, S., Kort-Kamp, W. J. M., Dalvit, D. A. R., & Manjavacas, A. (2019). Nanoscale transfer of angular momentum mediated by the Casimir torque. Communications Physics, 2(1), 1-7. https://www.nature.com/articles/s42005-019-0163-3
Peysokhan, M., Keeney, J., & Mafi, A. (2019). Impact of spatial correlation in fluctuations of the refractive index on rogue wave generation probability. Optics Letters, 44(9), 2244-2247. https://www.osapublishing.org/ol/abstract.cfm?uri=ol-44-9-2244
Murray, V. J., Zhou, L., Xu, C., Wang, Y., Guo, H., & Minton, T. K. (2019). Scattering Dynamics of Glycine, H2O, and CO2 on Highly Oriented Pyrolytic Graphite. The Journal of Physical Chemistry C, 123(6), 3605-3621. https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.8b11293
Moeinian, A., Gür, F. N., Gonzalez-Torres, J., Zhou, L., Murugesan, V. D., Dashtestani, A. D., & Strehle, S. (2019). Highly Localized SERS Measurements Using Single Silicon Nanowires Decorated with DNA Origami-Based SERS Probe. Nano Letters, 19(2), 1061-1066. https://pubs.acs.org/doi/abs/10.1021/acs.nanolett.8b04355
Riley, C., De La Riva, A., Zhou, S., Wan, Q., Peterson, E., Artyushkova, K., & Datye, A. (2019). Synthesis of Nickel-Doped Ceria Catalysts for Selective Acetylene Hydrogenation. ChemCatChem, 11(5), 1526-1533. https://onlinelibrary.wiley.com/doi/full/10.1002/cctc.201801976
Lu, D., Xie, C., Li, J., & Guo, H. (2019). Rate coefficients and branching ratio for multi-channel hydrogen abstractions from CH3OH by F. Chinese Journal of Chemical Physics, 32(1), 84-88. https://cps.scitation.org/doi/10.1063/1674-0068/cjcp181125
Xie, C., Malbon, C. L., Xie, D., Yarkony, D. R., & Guo, H. (2019). Nonadiabatic Dynamics in Photodissociation of Hydroxymethyl in the 32A(3px) Rydberg State: A Nine-Dimensional Quantum Study. The Journal of Physical Chemistry A, 123(10), 1937-1944. https://pubs.acs.org/doi/10.1021/acs.jpca.8b12184
Al Taleb, A., Anemone, G., Zhou, L., Guo, H., & Farias, D. (2019). Diffraction of CH4 from a Metal Surface. The Journal of Physical Chemistry Letters, 10(7), 1574-1580. https://pubs.acs.org/doi/10.1021/acs.jpclett.9b00158
Kunwar, D., Zhou, S., DeLaRiva, A., Peterson, E. J., Xiong, H., Pereira-Hernández, X. I., & Datye, A. K. (2019). Stabilizing High Metal Loadings of Thermally Stable Platinum Single Atoms on an Industrial Catalyst Support. ACS Catalysis, 9(5), 3978-3990. https://pubs.acs.org/doi/10.1021/acscatal.8b0488
Wu, Q., Zhou, L., & Guo, H. (2019). Steric Effects in CO Oxidation on Pt(111) by Impinging Oxygen Atoms Lead to an Exclusive Hot Atom Mechanism. The Journal of Physical Chemistry C, 123(16), 10509-10516. https://pubs.acs.org/doi/10.1021/acs.jpcc.9b02615
Owen, C. J., Keyes, N. R., Xie, C., Guo, H., & Armentrout, P. B. (2019). Bond dissociation energy of Au2+: A guided ion beam and theoretical investigation. The Journal of Chemical Physics, 150(17). https://aip.scitation.org/doi/full/10.1063/1.5092957
Zhou, L., Kandratsenka, A., Campbell, C. T., Wodtke, A. M., & Guo, H. (2019). Origin of Thermal and Hyperthermal CO2 from CO Oxidation on Pt Surfaces: The Role of Post‐Transition‐State Dynamics, Active Sites, and Chemisorbed CO2. Angewandte Chemie International Edition, 58(21), 6916-6920. https://onlinelibrary.wiley.com/doi/full/10.1002/anie.201900565
Amarasinghe, C., Li, H., Perera, C. A., Besemer, M., van der Avoird, A., Groenenboom, G. C., & Suits, A. G. (2019). Differential Cross Sections for State-to-State Collisions of NO(v = 10) in Near-Copropagating Beams. The Journal of Physical Chemistry Letters, 10(10), 2422-2427. https://pubs.acs.org/doi/10.1021/acs.jpclett.9b00847
Shuman, N. S., Ard, S. G., Sweeny, B. C., Pan, H., Viggiano, A. A., Keyes, N. R., & Armentrout, P. B. (2019). Au2+ cannot catalyze conversion of methane to ethene at low temperature. Catalysis Science & Technology, 9(11), 2767-2780. https://pubs.rsc.org/en/content/articlelanding/2019/cy/c9cy00523d#!divAbstract
He, C., Sankarasubramanian, S., Matanovic, I., Atanassov, P., & Ramani, V. (2019). Understanding the Oxygen Reduction Reaction Activity and Oxidative Stability of Pt Supported on Nb‐Doped TiO2. ChemSusChem, 12(15), 3468-3480. https://onlinelibrary.wiley.com/doi/full/10.1002/cssc.20190049
Malins, J. B., Obenberger, K. S., Taylor, G. B., & Dowell, J. (2019). Three Dimensional Mapping of Lightning Produced Ionospheric Reflections. Radio Science 54(11), 1129-1141. https://agupubs.onlinelibrary.wiley.com/doi/abs/10.1029/2019RS006857
Kent, J., Dowell, J., Beardsley, A., Thyagarajan, N., Taylor, G.B., & Bowman, J. (2019). A Real-Time, All-Sky, High Time Resolution, Direct Imager for the Long Wavelength Array. Monthly Notices of the Royal Astronomical Society, 486(4), 5052-5060. https://academic.oup.com/mnras/article/486/4/5052/5484888
Matanovic, I., Maurya, S., Park, E. J., Jeon, J. Y., Bae, C., & Kim, Y. S. (2019). Adsorption of Polyaromatic Backbone Impacts the Performance of the Anion Exchange Membrane Fuel cells. Chemistry of Materials, 31(11), 4195-4204. https://pubs.acs.org/doi/full/10.1021/acs.chemmater.9b01092#
Li, D., Matanovic, I., Lee, A. S., Park, E. J., Fujimoto, C., Chung, H. T., & Kim, Y. S. (2019). Phenyl Oxidation Impacts the Durability of Alkaline Membrane Water Electrolyzer, ACS Applied Materials & Interfaces, 11(10), 9696−9701. https://pubs.acs.org/doi/abs/10.1021/acsami.9b00711
Lee, A. S., Choe, Y. K., Metanovic, I., & Kim, Y. S. (2019). The energetics of phosphoric acid interactions reveals a new acid loss mechanism, Journal of Materials Chemistry A, 7(16), 9867-9876. https://pubs.rsc.org/en/content/articlelanding/2019/ta/c9ta01756a#!divAbstract
Andersen, M. J., McCullough, J. M., Friedman, N. R., Townsend Peterson, A. Moyle, R. G., Joseph, L., & Nyári, Á. (2019). Ultraconserved elements resolve genus-level relationships in a major Australasian bird radiation (Aves: Meliphagidae). Emu-Austral Ornithology, 119(3), 218-232. https://www.tandfonline.com/doi/full/10.1080/01584197.2019.1595662
Vangara, R., Stoltzfus, K., York, M. R., van Swol, F., & Petsev, D. N. (2019). Coulombic and non-coulombic effects in charge-regulating electric double layers. Materials Research Express, 6(8), https://iopscience.iop.org/article/10.1088/2053-1591/ab2791/meta
McCullough, J. M., Joseph, L., Moyle, R. G. & Andersen, M. J. (2019). Ultraconserved elements put the final nail in the coffin of traditional use of the genus Meliphaga (Aves: Meliphagidae). Zoologica Scripta, 48(4), 411-418. https://onlinelibrary.wiley.com/doi/full/10.1111/zsc.12350
Nayak, S. K., Benavidez, A. D., Matanovic, I., & Garzon, F. H. (2019). Thermochemical analysis of Mo-C-H system for synthesis of molybdenum carbides. Thermochimica Acta, 676, 27-32. https://www.sciencedirect.com/science/article/pii/S0040603118301758
Yang, Y., Lu, J., Manjavacas, A., Luk, T. S., Liu, H., Kelley, K., . . . & Brener, I. (2019). High-harmonic generation from an epsilon-near-zero material. Nature Physics, 15, 1022-1026. https://www.nature.com/articles/s41567-019-0584-7#citeas
Zhang, H., & Schmandt, B. (2019). Application of Ps Scattering Kernels to Imaging the Mantle Transition Zone With Receiver Functions. JGR Solid Earth, 124(1), 709-728. https://agupubs.onlinelibrary.wiley.com/doi/full/10.1029/2018JB016274
El-Genk, M. S., Schriener, T. M. & Breedlove, J. J. (2019). Thermal analyses of heat source assembly for a dual loop, Turbo-Brayton Radioisotope power system. Thermal Science and Engineering Progress, 10, 82-91. https://www.sciencedirect.com/science/article/pii/S2451904918305560
Poe, S. & Anderson, C. G. (2019). The existence and evolution of morphotypes in Anolis lizards: coexistence patterns, not adaptive radiations, distinguish mainland and island faunas. PeerJ, 6. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6321754/
Pérez, A. M., Lopez, O. & Poroseva, S. V. (2019). Free-Vortex Wake and CFD Simulation of a Small Rotor for a Quadcopter at Hover. Paper presented at the AIAA Scitech 2019 Forum, San Diego, CA, Jan. 7-11, 2019. https://arc.aiaa.org/doi/pdf/10.2514/6.2019-0597
2018
Lau, S. R. (2018). Sparse Spectral-Element Methods for the Helically Reduced Einstein Equations. In: Sherwin, S., Moxey, D., Peiró, J., Vincent, P., & Schwab, C. (Eds.), Lecture notes in computational science and engineering: Spectral and high order methods for partial differential equations ICOSAHOM 2018 (pp. 239-249). Springer, Cham.
S. Mayura, S. Noh, I. Matanovic, E J. Park, C. Narvaez Villarrubia, J. Han, C. Bae, and Y. S. Kim, Rational design of polyaromatic ionomers for alkaline membrane fuel cells with >1 Wcm-2power density, Energy Environ. Sci., 11, 3283-3291 (2018).
S. Maurya, J. H Dumont, C. N. Villarrubia, I. Matanovic, D. Li, Y. S. Kim, S. Noh, J. Han, C. Bae, H. A. Miller, C. H. Fujimoto, D. R. Dekel, Surface Adsorption Affects the Performance of Alkaline Anion- Exchange Membrane Fuel Cells, ACS Catalysis, 8, 9429-9439 (2018).
D. Li, T. Chung, S. Maurya, I. Matanovic and Y. S. Kim, Impact of ionomer adsorption on alkaline hydrogen oxidation activity and fuel cell performance, Curr. Opin. in Electrochem., 12, 189-195 (2018).
Y. Chen, I. Matanovic, E. Weiler, P. Atanassov, K. Artyushkova, Mechanism of Oxygen Reduction Reaction on Transition Metal-Nitrogen Carbon Catalysts: Establishing the Role of
Y. C. Liu, I. Matanovic, D. P. Hickey, S. D. Minteer, P. Atanassov, S. C. Baron, Cascade Kinetics of an Artificial Metabolon by Molecular Dynamics and Kinetic Monte Carlo, ACS Catalysis, 8,7719-7726 (2018).
T. Asset, M. Padilla, A. J. Roy, I. Matanovic, M. Chatenet, F. Millard, P. Atanassov, Design of Pd-Pb Catalysts for Glycerol and Ethylene Glycol Electrooxidation in Alkaline Medium, Electrocatalysis, 9, 480-485 (2018).
I. Matanovic and F. Garzon, Nitrogen
S. Rojas-Carbonell, K. Artyushkova, A. Serov, C. Santoro, I. Matanovic, P. Atanassov, Effect of pH on the Activity of Platinum Metal-Free Catalysts in the Oxygen Reduction Reaction, ACS Catalysis, 8, 3041-3053 (2018
I. Matanovic, K. Artyushkova, and P. Atanassov, Understanding PGM-free catalysts by linking density functional theory calculations and structural analysis: Perspectives and challenges, Curr. Opin. In Electrochem.,9, 137-144 (2018).
Y. Chen, K. Artyushkova, S. Rojas-Carbonell, A. Serov, I. Matanovic, C. Santoro, T. Asset, P. Atanassov, Inhibition of Surface Chemical Moieties by Tris (hydroxymethyl) aminomethane: A Key to Understanding Oxygen Reduction on Iron–Nitrogen–Carbon Catalysts, ACS Applied Energy Materials1 (50), 1942-1949 (2018).
Buddenborg, Sarah K., Bishoy Kamel, Ben Hanelt, Lijing Bu, Si-Ming Zhang, Gerald M. Mkoji, and Eric S. Loker. "The in vivo transcriptome of Schistosoma
Yin, Guohua, Sui Sheng T. Hua, Kayla K. Pennerman, Jiujiang Yu, Lijing Bu, Richard T. Sayre, and Joan W. Bennett. "Genome sequence and comparative analyses of
Zhang, Si-Ming, Lijing Bu, Martina R. Laidemitt, Lijun Lu, Martin W. Mutuku, Gerald M. Mkoji, and Eric S. Loker. "Complete mitochondrial and rDNA complex sequences of important vector species of Biomphalaria, obligatory hosts of the human-infecting blood fluke, Schistosoma
Sanders, S., May, A., Alabastri, A. and Manjavacas, A., 2018. Extraordinary Enhancement of Quadrupolar Transitions Using Nanostructured Graphene. ACS Photonics, 5(8), pp.3282-3290.
Gisewhite, D.R., Yang, J., Williams, B.R., Esmail, A., Stein, B., Kirk, M.L. and Burgmayer, S.J., 2018. Implications of Pyran Cyclization and Pterin Conformation on Oxidized Forms of the Molybdenum Cofactor. Journal of the American Chemical Society, 140(40), pp.12808-12818.
Chen, T., Lehr, J.M., Lavrova, O. and Martínez-Ramón, M., 2018. Distribution feeder-level day-ahead peak load forecasting methods and comparative study. IET Generation, Transmission & Distribution, 12(13), pp.3270-3278.
Van Swol, F.B.
Mclean, B.S., Bell, K.C., Allen, J.M., Helgen, K.M. and Cook, J.A., 2018. Impacts of Inference Method and Data set Filtering on Phylogenomic Resolution in a Rapid Radiation of Ground Squirrels (Xerinae:
Kafle, B.,
Cowen, B.J., El-Genk, M.S., Hattar, K. and Briggs, S.A., 2018. A study of irradiation effects in TiO2 using molecular dynamics simulation and complementary in situ transmission electron microscopy. Journal of Applied Physics, 124(9), p.095901.
Zundel, L. and Manjavacas, A., 2018. Finite-size effects on periodic arrays of nanostructures. Journal of Physics: Photonics, 1(1), p.015004.
Cowen, B.J. and El-Genk, M.S., 2018. Characterization of radiation damage in TiO2 using molecular dynamics simulations.
Shi, Y. and Lee, J.H., 2018. Sample size calculations for
Barrow, L.N., Allen, J.M., Huang, X., Bensch, S. and Witt, C.C., 2018. Genomic sequence capture of haemosporidian parasites: Methods and prospects for enhanced study of host‐parasite evolution. Molecular ecology resources.
Robinson, A.J. and Natvig, D.O., 2018. Diverse members of the Xylariales lack canonical mating-type regions. Fungal Genetics and Biology.
Colella, J.P., Wilson, R.E., Talbot, S.L. and Cook, J.A., 2018. Implications of introgression for wildlife translocations: the case of North American martens. Conservation Genetics, pp.1-14.
van Swol, Frank B., and Dimiter N.
Manjavacas, A., 2018. Controlling
Heydarian, H.,
Dunning, D.J. and Marts, W.P., 2018. Adaptive Mesh Refinement in the Fastlane (No. LA-UR-18-28159). Los Alamos National Lab
Estrada, T., Benson, J., Carrillo-Cabada, H., Razavi, A.M., Cuendet, M.A., Weinstein, H., Deelman, E. and Taufer, M., 2018, August. Graphic Encoding of Macromolecules for Efficient High-Throughput Analysis. In Proceedings of the 2018 ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics (pp. 315-324). ACM.
Maurya, S., Dumont, J., Narvaez Villarrubia, C., Matanovic, I.,
Zhou, L., Jiang, B., Alducin, M. and Guo, H., 2018. Communication: Fingerprints of reaction mechanisms in product distributions: Eley-Rideal-type reactions between D and CD3/Cu (111). The Journal of Chemical Physics, 149(3), p.031101.
Chen, X., Peterson, M., Benson, J., Taufer, M. and Estrada, T., 2018. KeyBin2: Distributed Clustering for Scalable and In-Situ Analysis.
Benson, B.W., Iyer, S.R., Kemper, K.J. and Zhao, J., 2018.
El-Genk, M.S., Talaat, K. and Cowen, B.J., 2018. Thermal conductivity of silicon using reverse non-equilibrium molecular dynamics. Journal of Applied Physics, 123(20), p.205104.
Cowen, B.J. and El-Genk, M.S., 2018. Point defects production and energy thresholds for displacements in crystalline and amorphous SiC. Computational Materials Science, 151, pp.73-83.
Xie, C., Liu, X. and Guo, H., 2018. State-to-State Quantum Dynamics of the H+ LiF→ Li+ HF Reaction on An Accurate Ab Initio Potential Energy Surface. Chemical Physics.
Hoover, J.H., Coker, E., Barney, Y., Shuey, C. and Lewis, J., 2018. Spatial clustering of metal and metalloid mixtures in unregulated water sources on the Navajo Nation–Arizona, New Mexico, and Utah, USA. Science of The Total Environment.
Zhou, S., Lin, S. and Guo, H., 2018. First Principles Insights into Ammonia Decomposition Catalyzed by Ru Clusters Anchored on Carbon Nanotubes: Size Dependence and Interfacial Effects. The Journal of Physical Chemistry C.
Sanders, Stephen, and Alejandro Manjavacas. "Analysis of the Limits of the Local Density of Photonic States Near Nanostructures." ACS Photonics (2018).
Baur, S., Sanders, S. and Manjavacas, A., 2018. Hybridization of Lattice Resonances. ACS nano.
2017
I. Matanovic, H. Taek
D. Sebastián, A. Serov, I. Matanovic, K. Artyushkova, P. Atanassov, A.S. Aricò, V. Baglio, Insights on the extraordinary tolerance to alcohols of Fe-N-C cathode catalysts in highly performing direct alcohol fuel cells, Nano Energy, 34, 195-204 (2017).
M. Kodali, C. Santoro, A. Serov, S. Kabir, K. Artyushkova, I. Matanovic, P. Atanassov, Air Breathing Cathodes for Microbial Fuel Cell using Mn-, Fe-, Co- and Ni-containing Platinum Group Metal-free Catalysts, Electrochimica Acta231, 115-124 (2017).
K. Artyushkova, I. Matanovic, B. Halevi, P. Atanassov, Oxygen Binding to Active Sites of Fe-N-C ORR Electrocatalysts Observed by Ambient-Pressure XPS, J. Phys. Chem. C, 121 (5), 2836-2843 (2017).
Perry III, S. Kabir, I. Matanovic, M. S. Chavez, K. Artyushkova, A. Serov and P. Atanassov, Novel Hybrid Catalyst for the Oxidation of Organic Acids: Pd Nanoparticles Supported on Mn-N-3D-graphene Nanosheets, ChemElectroChem, 4, 1-10 (2017).
S. Babanova, I. Matanovic, J. Cornejo, O. Bretschger, K. Nealson, and P. Atanassov, Outer membrane cytochromes/flavin interactions in Shewanella spp.—A molecular perspective, Biointerphases12, 021004 (2017).
Manjavacas, A., Fenollosa, R., Rodriguez, I., Jiménez, M.C., Miranda, M.A. and Meseguer, F., 2017. Magnetic light and forbidden photochemistry: the case of singlet oxygen. Journal of Materials Chemistry C, 5(45), pp.11824-11831.
Abdellaoui, S., Chavez, M.S., Matanovic, I., Stephens, A.R., Atanassov, P. and Minteer, S.D., 2017. Hybrid molecular/enzymatic catalytic cascade for complete electro-oxidation of glycerol using a promiscuous NAD-dependent formate dehydrogenase from Candida
Wester, M.J., Lin, J. and Neumann, A.K., 2017. A computational model for regulation of nanoscale glucan exposure in Candida albicans. PloS one, 12(12), p.e0188599.
Qi, X., Jau, Y.Y. and Deutsch, I.H., 2017. Enhanced cooperativity for quantum nondemolition measurement induced spin squeezing of atoms coupled to a nanophotonic waveguide. arXiv preprint arXiv:1712.02916.
Manavi, K., Tashakkori, S. and Tapia, L., 2017, August. Gaussian Mixture Models with Constrained Flexibility for Fitting Tomographic Tilt Series. In Proceedings of the 8th ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics (pp. 710-715). ACM.
Jacobson, B., David, J.C.L., Malone, M.C., Manavi, K., Atlas, S.R. and Tapia, L., 2017, August. Geometric Sampling Framework for Exploring Molecular Walker Energetics and Dynamics. In Proceedings of the 8th ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics (pp. 704-709). ACM.
Colmenares, J.D., Poroseva, S., Peet, Y.T. and Murman, S.M., 2017. DNS of a Spatially Developing Turbulent Mixing Layer from Co-flowing Laminar Boundary Layers. In 47th AIAA Fluid Dynamics Conference (p. 3641)
Xie, C., Malbon, C.L., Yarkony, D.R. and Guo, H., 2017. Dynamic mapping of conical intersection seams: A general method for incorporating the geometric phase in adiabatic dynamics in polyatomic systems. The Journal of chemical physics, 147(4), p.044109.
Boyd, S.P., Hummatov, R., Kim, G.B., Hall, J.A., Cantor, R. and Friedrich, S., 2017. Integrated SQUID/Sensor Metallic Magnetic Microcalorimeter for Gamma-Ray Spectroscopy (No. LLNL-CONF-741434). Lawrence Livermore National Lab
Andersen, M.J., McCullough, J.M., Mauck, W.M., Smith, B.T. and Moyle, R.G., 2017. A phylogeny of kingfishers reveals an Indomalayan origin and elevated rates of diversification on oceanic islands. Journal of Biogeography.
Zundel, L., Martinez-Herrero, R. and Manjavacas, A., 2017. Flat top surface plasmon polariton beams. Optics Letters, 42(20), pp.4143-4146.
Cowen, B.J. and El-Genk, M., 2017. Directional dependence of the threshold displacement energies in metal oxides.
Peysokhan, M., Mobini, E., Keeney, J. and Mafi, A., 2017, September. Optical rogue wave generation in dielectrics with correlated fluctuations of refractive index. In Frontiers in Optics (pp. JW4A-111). Optical Society of America.
Chen, X., Benson, J. and Estrada, T., 2017, September.
Foteinopoulou, S. and Devarapu, G.C.R., 2017, July. Perfectly asymmetric reflection enables unidirectional emission in a phonon-polariton (
Alabastri, A., Malerba, M., Calandrini, E., Manjavacas, A., De Angelis, F., Toma, A. and Proietti Zaccaria, R., 2017. Controlling the heat dissipation in temperature-matched plasmonic nanostructures. Nano Letters.
Gustafson, G.T. and Miller, K.B., 2017. Systematics and evolution of the whirligig beetle tribe Dineutini (Coleoptera: Gyrinidae:
Zhou, L., Johnson, R., Habteyes, T. and Guo, H., 2017. Adsorption of methylene blue and its N-demethylated derivatives on the (111) face of coinage metals: The importance of dispersion interactions. The Journal of Chemical Physics, 146(16), p.164701.
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.
Cowen, B.J. and El-Genk, M.S., 2017. Estimates of point defect production in α-quartz using molecular dynamics simulations.
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
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.
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.
