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
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. 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
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, 110230. 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, (pp. 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/cjcp1811256.
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).
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
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. 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, 5052
I. Matanovic, S. Maurya, E. J. Park, J. Y. Jeon, C. Bae, and Y. S. Kim, Adsorption of Polyaromatic Backbone Impacts the Performance of the Anion Exchange Membrane Fuel cells, Chem. Mater., 31, 4195-4204(2019).
D. Li, I. Matanovic, A. S. Lee, C. Fujimoto, H. T. Chung, and Y. S. Kim, Phenyl Oxidation Limits the Durability of Alkaline Membrane Water Electrolyzer, ACS Appl. Mater. Interfaces11, 9696−9701 (2019).
A. S. Lee, Y.-K. Choe, I. Matanovic, Y. S. Kim, The energetics of phosphoric acid interactions reveals a new acid loss mechanism, J. Mater. Chem. A,7, 9867 (2019).
Andersen, Michael J., Jenna M. McCullough, Nicholas R. Friedman, A. Townsend Peterson, Robert G. Moyle, Leo Joseph, and Árpád S. Nyári. "Ultraconserved elements resolve genus-level relationships in
McCullough, J.M., Joseph, L., Moyle, R.G. and Andersen, M.J., 2019. Ultraconserved elements put the final nail in the coffin of
Nayak, S.K., Benavidez, A.D., Matanovic, I.
Yang, Y., Lu, J., Manjavacas, A., Luk, T.S., Liu, H., Kelley, K., Maria, J.P., Sinclair, M.B., Ghimire, S. and Brener, I., 2019. High-harmonic generation from an epsilon-near-zero material. arXiv preprint arXiv:1902.03539.
Han Zhang, Brandon Schmandt, Application of Ps Scattering Kernels to Imaging the Mantle Transition Zone With Receiver Functions, AGU100.
El-Genk, M.S.,
Poe, S. and 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, p.e6040.
Pérez, A.M., Lopez, O. and Poroseva, S.V., 2019. Free-Vortex Wake and CFD Simulation of a Small Rotor for a Quadcopter at Hover. In AIAA Scitech 2019 Forum (p. 0597).
2018
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
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