Publications and acknowledgement

CARC acknowledgement

Please use the following statement when acknowledging use of Center for Advanced Research Computing resources. Select one or more of the items within the braces { }:

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 to publication to publications@carc.unm.edu.

2022

Nikravesh, S., Ryu, D. and Shen, Y.-L. (2022). Surface Wrinkling versus Global Buckling Instabilities in Thin Film-Substrate Systems under Biaxial Loading: Direct 3D Numerical Simulations. Advanced Theory and Simulations.Advance online publication. https://doi.org/10.1002/adts.202200183

2021

Janardhana, R. D., Abuhegazy, M., & Poroseva, S. V. (2021). Simulation of two benchmark cases: 2DB and 2DML from turbulence modeling resource using star-CCM+ and openfoam. AIAA SciTech Forum. https://arc.aiaa.org/doi/abs/10.2514/6.2022-1573

Schriener, T.M., & El-Genk, M.S. (2021). Thermal analyses of high-power advanced thermoacoustic radioisotope power system for future space exploration missions. Nuclear Engineering and Design, 385, 111504. https://doi.org/10.1016/j.nucengdes.2021.111504

Talaat, K., Hassan, M. M., Cakez, C., Ghosh, S., Bohanon, B., Woloshun, K., Unal, C., & Anderoglu, O. (2021). Design of specimen holders for flow accelerated corrosion experiments in molten lead with numerical evaluation of pressure losses. Nuclear Engineering and Design, 385, 111522. https://doi.org/10.1016/j.nucengdes.2021.111522

Nasimi, R., Moreu, F., & Stormont, J. (2021). Crack detection using tap-testing and machine learning techniques to prevent potential rockfall incidents. Engineering Research Express, 3(4), 045050. https://doi.org/10.1088/2631-8695/ac3fa0

Wester, M. J., Schodt, D. J., Mazloom-Farsibaf, H., Fazel, M., Pallikkuth, S., & Lidke, K. A. (2021). Robust, fiducial-free drift correction for super-resolution imaging. Scientific Reports, 11(1). https://doi.org/10.1038/s41598-021-02850-7

Heimroth, R. D., Casadei, E., Benedicenti, O., Amemiya, C. T., Muñoz, P., & Salinas, I. (2021). The lungfish cocoon is a living tissue with antimicrobial functions. Science Advances, 7(47). https://doi.org/10.1126/sciadv.abj0829

Leifer, I., Phillips, D., Sorrentino, F., & Makse, H. A. (2021). Symmetry-driven link prediction in networks through pseudobalanced coloring optimization. Arxiv. https://arxiv.org/pdf/2111.07821.pdf

Buren, B., Chen, M., Sun, Z., & Guo, H. (2021). Quantum wave packet treatment of cold nonadiabatic reactive scattering at the state-to-state level. The Journal of Physical Chemistry A, 125(46), 10111-10120. https://doi.org/10.1021/acs.jpca.1c08105

Terrén-Serrano, G., & Martínez-Ramón, M. (2021). Geospatial perspective reprojections for ground-based sky imaging system. Arxiv. https://arxiv.org/pdf/2103.02066.pdf

Kumar, P., White, S. M., Stovall, K., Dowell, J., & Taylor, G. B. (2021). Pulsar observations at low frequencies: Applications to pulsar timing and solar wind models. 37th New Mexico Symposium. https://www.aoc.nrao.edu/events/nmsymposium/2021/program.html

Amarasinghe, C., Perera, C. A., Li, H., Zuo, J., Besemer, M., van der Avoird, A., Groenenboom, G. C., Guo, H., & Suits, A. G. (2021). Collision-induced spin-orbit relaxation of highly vibrationally excited NO near 1 K. Natural Sciences, e20210074. https://doi.org/10.1002/ntls.20210074

Avila-Magaña, V., Kamel, B., DeSalvo, M., Gómez-Campo, K., Enríquez, S., Kitano, H., Rohlfs, R. V., Iglesias-Prieto, R., & Medina, M. (2021). Elucidating gene expression adaptation of phylogenetically divergent coral holobionts under heat stress. Nature Communications, 12, 5731. https://doi.org/10.1038/s41467-021-25950-4

Varghese, S. S., Dowell, J., Obenberger, K. S., Taylor, G. B., & Malins, J. (2021). Broadband imaging to study the spectral distribution of meteor radio afterglows. Journal of Geophysical Research: Space Physics, 126, e2021JA029296. https://doi.org/10.1029/2021JA029296

Romero, B. E., Poroseva, S., Vorobieff, P., & Reisner, J. (2021). Three-dimensional validation exercise for FIESTA code: Evolution of shock-driven instabilities. WIT Transactions on Engineering Sciences, 132, 3-11. https://doi.org/10.2495/MPF210011

Freund, H. P., & van der Slot, P. J. M. (2021). Variable polarization states in free-electron lasers. Journal of Physics Communications, 5(8), 085011. https://doi.org/10.1088/2399-6528/ac1c89

Borodin, D., Schwarzer, M., Hahn, H. W., Fingerhut, J., Wang, Y., Auerbach, D. J., Guo, H., Schroeder, J., Kitsopoulos, T. N., & Wodtke, A. M. (2021). The puzzle of rapid hydrogen oxidation on Pt(111). Molecular Physics, https://doi.org/10.1080/00268976.2021.1966533

Hogeveen, J., Aragon, D. F., Rogge-Obando, K., Campbell, R. A., Shuttleworth, C. W., Avila-Rieger, R. E., Yeo, R. A., Wilson, J. K., Fratzke, V., Brandt, E., Story-Remer, J., Gill, D., Mayer, A. R., Cavanagh, J. F., & Quinn, D. K. (2021). Ventromedial prefrontal-anterior cingulate hyperconnectivity and resilience to apathy in traumatic brain injury. Journal of Neurotrauma, 38(16), 2264–2274. https://doi.org/10.1089/neu.2020.7363

Terrén-Serrano, G., & Martínez-Ramón, M. (2021). Segmentation algorithms for ground-based infrared cloud images. Arxiv. https://arxiv.org/pdf/2102.10151.pdf

Nikravesh, S., Ryu, D., & Shen, Y. (2021). Direct numerical simulations of three-dimensional surface instability patterns in thin film-compliant substrate structures. Scientific Reports, 11, 16449. https://doi.org/10.1038/s41598-021-95414-8

Zhao, B., Han, S., Malbon, C. L., Manthe, U., Yarkony, D. R., & Guo, H. (2021). Full-dimensional quantum stereodynamics of the non-adiabatic quenching of Oh(A2Σ+) by H2. Nature Chemistry, 13(9), 909–915. https://doi.org/10.1038/s41557-021-00730-1

Lee, E. D., Chen, X., & Daniels, B. C. (2021). Discovering sparse control strategies in C. elegans. Arxiv. https://arxiv.org/pdf/2108.00837.pdf

Nasimi, R., & Moreu, F. (2021). Development and implementation of a laser–camera–UAV system to measure total dynamic transverse displacement. Journal of Engineering Mechanics, 147(8), 04021045. https://doi.org/10.1061/(asce)em.1943-7889.0001939

Cyr-Racine, F., Ge, F., & Knox, L. (2021). A symmetry of cosmological observables, and a high Hubble constant as an indicator of a mirror world dark sector. Arxiv. https://arxiv.org/pdf/2107.13000.pdf

Ajith, M., & Martínez-Ramón, M. (2021). Deep learning based on solar radiation micro forecast by fusion of infrared cloud images and radiation data. Applied Energy, 294, 117014. https://doi.org/10.1016/j.apenergy.2021.117014

Huang, J., Yang, D., Zuo, J., Hu, X., Xie, D. & Guo, H. (2021). Full-dimensional global potential energy surface for the KRb + KRb à K₂Rb₂* à K₂ + Rb₂ reaction with accurate long-range interactions and quantum statistical calculation of the product state distribution under ultracold conditions. The Journal of Physical Chemistry A, 125(28), 6198-6206. https://doi.org/10.1021/acs.jpca.1c04506

Han, S., Sun, G., Zheng, X., Song, Y., Dawes, R., Xie, D., Zhang, J., & Guo, H. (2021). Rotational modulation of Ã2A”-state photodissociation of HCO via Renner-Teller nondiabatic transitions. The Journal of Physical Chemistry Letters, 12(28), 6582-6588. https://doi.org/10.1021/acs.jpclett.1c01932

Dones, J. M., Abularrage, N. S., Khanal, N., Gold, B., & Raines, R. T. (2021). Acceleration of 1,3-dipolar cycloadditions by integration of strain and electronic tuning. Journal of the American Chemical Society, 143(25), 9489-9497. https://doi.org/10.1021/jacs.1c03133

Guan, Y., Xie, C., Guo, H., & Yarkony, D. R. (2021). Enabling a unified description of both internal conversion and intersystem crossing in formaldehyde: A global coupled quasi-diabatic Hamiltonian for its S0, S1, and T1 states. Journal of Chemical Theory and Computation, 17(7), 4157-4168. https://doi.org/10.1021/acs.jctc.1c00370

Bruzewski, S., Schinzel, F. K., Taylor, G. B., & Petrov, L. (2021). Radio counterpart candidates to unassociated 4FGL-DR2 Sources. The Astrophysical Journal, 914(1), 42. https://doi.org/10.3847/1538-4357/abf73b

Robbins, E., Cobo, N., Diaz, J., & Moreu, F. (2021). Development of a low-cost efficient wireless intelligent sensor for strain measurements (LEWIS-S). Measurement Science and Technology, 32, 095109. http://dx.doi.org/10.1088/1361-6501/abe339

Nasimi, R., Moreu, F., Stormont, J., & Bagherieh, A. (2021). Automated classification of surface properties of rocks. Tran-SET 2021, 1-6. https://doi.org/10.1061/9780784483787.001

Romero, B. E., Poroseva, S., Vorobieff, P., & Reisner, J. (2021). Simulations of the shock-driven Kelvin-Helmholtz instability in inclined gas curtains. Physics of Fluids, 33(6), 064103. https://doi.org/10.1063/5.0051459

Terrén-Serrano, G., & Martínez-Ramón, M. (2021). Explicit basis function kernel methods for cloud segmentation in infrared sky images. Arxiv. https://arxiv.org/pdf/2102.06646.pdf

Jayee, B., Nieman, R., Minton, T. K., Hase, W. L., & Guo, H. (2021). Direct dynamics simulations of hyperthermal O(3P) collisions with pristine, defected, oxygenated, and nitridated graphene surfaces. The Journal of Physical Chemistry C, 125(18), 9795–9808. https://doi.org/10.1021/acs.jpcc.1c02216

Gutierrez, R. E., Matanovic, I., Polak, M. P., Johnson, R. S., Morgan, D., & Schamiloglu, E. (2021). Calculation of secondary electron yield of alloys: Single pole approximation. IVEC 2021.

Terrén-Serrano, G. & Martínez-Ramón, M. (2021). Comparative analysis of methods for cloud segmentation in ground-based infrared images. Arxiv. https://arxiv.org/pdf/2012.06930.pdf

Terrén-Serrano, G., & Martínez-Ramón, M. (2021). Multi-layer wind velocity field visualization in infrared images of clouds for solar irradiance forecasting. Applied Energy, 288, 116656. https://doi.org/10.1016/j.apenergy.2021.116656

Camak, D. T., Osborne, M. J., & Turner, T. F. (2021). Population genomics and conservation of Gila Trout (Oncorhynchus gilae). Conservation Genetics, 22, 729–743. https://doi.org/10.1007/s10592-021-01355-0

Terrén-Serrano, G., Bashir, A., Estrada, T., & Martínez-Ramón, M. (2021). Girasol, a sky imaging and global solar irradiance dataset. Data Brief, 35, 106914. https://doi.org/10.1016/j.dib.2021.106914

Terrén-Serrano, G., & Martínez-Ramón, M. (2021). Processing of global solar irradiance and ground-based infrared sky images for solar nowcasting and intra-hour forecasting applications. Arxiv. https://arxiv.org/abs/2101.08694

Atanasov, V., Lee, A. S., Park, E. J., Maurya, S., Baca, E. D., Fujimoto, C., Hibbs, M., Matanovic, I., Kerres, J., & Kim, Y. S. (2021). Synergistically integrated phosphonated poly(pentafluorostyrene) for fuel cells. Nature Materials, 20, 370-377. https://doi.org/10.1038/s41563-020-00841-z

Abuhegazy, M., Talaat, K., Elhagali, I. O., Anderoglu, O., & Poroseva, S. V. (2021). On the modeling and simulation of covid-19 spreading in a classroom. Bulletin of the American Physical Society. https://meetings.aps.org/Meeting/MAR21/Session/V24.2

Graham, B. J., Windsor, I. W., Gold, B., & Raines, R. T. (2021). Boronic acid with high oxidative stability and utility in biological contexts. Proceedings of the National Academy of Sciences, 118(10), e2013691118. https://doi.org/10.1073/pnas.2013691118

Morita, M., Zuo, J., Guo, H., & Balakrishnan, N. (2021). Rainbow scattering in rotationally inelastic collisions of HCl and H2. The Journal of Chemical Physics, 154, 104304. https://doi.org/10.1063/5.0043658

Heiderscheit, T. S., Oikawa, S., Sanders, S., Minamimoto, H., Searles, E. K., Landes, C. F., Murakoshi, K., Manjavacas, A., & Link, S. (2021). Tuning electrogenerated chemiluminescence intensity enhancement using hexagonal lattice arrays of gold nanodisks. The Journal of Physical Chemistry Letters, 12(10), 2516-2522. https://pubs.acs.org/doi/10.1021/acs.jpclett.0c03564

Terrén-Serrano, G., & Martínez-Ramón, M. (2021). Wind flow estimation in thermal sky images for sun occlusion prediction. Arxiv. https://arxiv.org/pdf/2103.02556.pdf

Hogeveen, J., Krueger, F., & Grafman, J. (2021). Association between alexithymia and impaired reward valuation in patients with fronto-insular damage. Emotion, 21(1), 137–147. https://doi.org/10.1037/emo0000676

Wang, Y., Nieman, R., Minton, T. K., & Guo, H. (2021). Insights into adsorption, diffusion, and reactions of atomic nitrogen on a highly oriented pyrolytic graphite surface. The Journal of Chemical Physics, 154(7), 074708. https://doi.org/10.1063/5.0042298

Nasimi, R., & Moreu, F. (2021). A methodology for measuring the total displacements of structures using a laser–camera system. Computer‐Aided Civil and Infrastructure Engineering. 36, 421–437. https://doi.org/10.1111/mice.12652

Britz, A., Attar, A. R., Zhang, X., Chang, H., Nyby, C., Krishnamoorthy, A., Park, S. H., Kwon, S., Kim, M., Nordlund, D., Sainio, S., Heinz, T. F., Leone, S. R., Lindenberg, A. M., Nakano, A., Ajayan, P., Vashishta, P., Fritz, D., Lin, M., & Bergmann, U. (2021). Carrier-specific dynamics in 2H-MoTe2 observed by femtosecond soft x-ray absorption spectroscopy using an x-ray free-electron laser. Structural Dynamics, 8(1), 014501. https://doi.org/10.1063/4.0000048

Zundel, L., May, A., & Manjavacas, A. (2021). Lattice resonances induced by periodic vacancies in arrays of nanoparticles. ACS Photonics, 8(1), 360-368. https://pubs.acs.org/doi/abs/10.1021/acsphotonics.0c01672

Romero, B. E., Poroseva, S., Vorobieff, P., & Reisner, J. (2021). Shock driven Kelvin-Helmholtz instability. AIAA Scitech 2021 forum. https://arc.aiaa.org/doi/10.2514/6.2021-0051

2020

Freund, H. P., & van der Slot, P. J. M. (2020). Variable polarization control in free-electron lasers. Arxiv. https://arxiv.org/ftp/arxiv/papers/2012/2012.09341.pdf

Feliciano, M. A. M., & Gold, B. (2020). Unique, yet typical oxyanion holes in aspartic proteases. ACS Catalysis, 10(23) 14201-14209. https://doi.org/10.1021/acscatal.0c03624

Cosburn, K., & Roy, M. (2020). Analysing the topographic form of stratovolcanoes. Journal of Volcanology and Geothermal Research, 407, 107123. https://doi.org/10.1016/j.jvolgeores.2020.107123

Dominguez-Trujillo, J., Haskins, K., Khouzani, S. J., Leap, C., Tashakkori, S. Wofford, Q., Estrada, T., Bridges, P. G., & Widener, P. M. (2020). Lightweight measurement and analysis of HPC performance variability. 2020 IEEE/ACM Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS). 50-60. https://doi.org/10.1109/PMBS51919.2020.00011

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

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), 184702. https://aip.scitation.org/doi/abs/10.1063/5.0028253

Ericksen, J., Aggarwal, A., Fricke, G. M., & Moses, M. E. (2020). LoCUS: A multi-robot loss-tolerant algorithm for surveying volcanic plumes. IEEE Robotics and Computing Conference (IRC 2020). http://fricke.co.uk/Research/EricksenIRC2020.pdf

Zhao, A., Rubin, N. C., & Miyake, A. (2020). Fermionic partial tomography via classical shadows. Arxiv. https://arxiv.org/pdf/2010.16094.pdf

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), 144306. 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

Luo, L., Kang, H., Li, X., Ness, S. A., & Stidley, C. A. (2020). Two-step mixed model approach to analyzing differential alternative RNA splicing. PLOS ONE, 15(10). https://doi.org/10.1371/journal.pone.0232646

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, 11(42), 11425-11434. https://doi.org/10.1039/D0SC04350H

Talaat, K., Cowen, B., & Anderoglu, O. (2020). Method of information entropy for convergence assessment of molecular dynamics simulations. Journal of Applied Physics, 128(13), 135102. 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, 16(11), 6776-6784. https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00811

Foteinopoulou, S. (2020). Can we bring EM enhancement to the multi-wavelength scale?. 2020 Fourteenth International Congress on Artificial Materials for Novel Wave Phenomena (Metamaterials), 36-38. https://doi.org/10.1109/Metamaterials49557.2020.9284982

Bhattarai, M., Jensen-Curtis, A. R., & Martínez-Ramón, M. (2020). An embedded deep learning system for augmented reality in firefighting applications. Arxiv. https://arxiv.org/pdf/2009.10679.pdf

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, 100812. https://doi.org/10.1016/j.apmt.2020.100812

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, 1, 215-225. https://doi.org/10.1007/s43154-020-00018-1

Sultana, N., Rüfenacht, M., Skjellum, A., Bangalore, P., Laguna, I., & Mohror, K. (2020). Understanding the use of message passing interface in exascale proxy applications. Concurrency and Computation: Practice and Experience. https://doi.org/10.1002/cpe.5901

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, 14(9), 11876-11887. https://doi.org/10.1021/acsnano.0c04795

Obenberger, K. S., Holmes, J. M., Ard, S. G., Dowell, J., Shuman, N. S., Taylor, G. B., Varghese, S. S., & Viggiano, A. A. (2020). Association between meteor radio afterglows and optical persistent trains. Journal of Geophysical Research: Space Physics, 125, 9. https://doi.org/10.1029/2020JA028053

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, 117(35), 21065-21069. https://doi.org/10.1073/pnas.2006070117

Chen, J., Hariharan, S., Meyer, J., & Guo, H. (2020). Potential energy landscape of CO adsorbates on NaCl(100) and implications in isomerization of vibrationally excited CO. The Journal of Physical Chemistry C, 124(35), 19146-19156. https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.0c05985

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), 054310. https://aip.scitation.org/doi/full/10.1063/5.0015101

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(8), 2573-2583. https://doi.org/10.1534/g3.120.401489

Matanovic, I., Lee, A. S., & Kim, Y. S. (2020). Energetics of base-acid pairs for the design of high-temperature fuel cell polymer electrolytes. >The Journal of Physical Chemistry B, 124(35), 7725-7734. https://pubs.acs.org/doi/10.1021/acs.jpcb.0c05672

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, 1, 404-412. https://doi.org/10.1109/OJAP.2020.3013830

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

Muniz, Y., Manjavacas, A., Farina, C., Dalvit, D. A. R., & Kort-Kamp, W. J. M. (2020). Two-photon spontaneous emission in atomically thin plasmonic nanostructures. Physical Review Letters, 125(3), 033601. https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.125.033601

Wu, Q., Zhou, L., Schatz, G. C., Zhang, Y., & Guo, H. (2020). Mechanistic insights into photocatalyzed H2 dissociation on Au clusters. Journal of the American Chemical Society, 142(30), 13090-13101. https://pubs.acs.org/doi/10.1021/jacs.0c04491

Kim, A., & Degnan, J. (2020). PRANC: ML species tree estimation from the ranked gene trees under coalescence. Bioinformatics, 36(18), 4819-4821. https://doi.org/10.1093/bioinformatics/btaa605

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), 241103. https://aip.scitation.org/doi/full/10.1063/5.0014805

Dike, V., Taylor, G. B., Dowell, J., & Stovall, K. (2020). Detecting pulsar polarization below 100 MHz with the long wavelength array. Arxiv. https://arxiv.org/pdf/2006.10140.pdf

Giovannini, G., Cau, M., Bonafede, A., Ebeling, H., Feretti, L., Girardi, M., Gitti, M., Govoni, F., Ignesti, A., Murgia, M., Taylor, G. B., & Vacca, V. (2020). Diffuse radio sources in a statistically complete sample of high redshift galaxy clusters. Arxiv. https://arxiv.org/pdf/2006.08494.pdf

Davis, I., Taylor, G., & Dowell, J. (2020). Observing flare stars below 100 MHz with the LWA. Arxiv. https://arxiv.org/pdf/2006.02469.pdf

Zundel, L., & Manjavacas, A. (2020). Active temporal control of radiative heat transfer with graphene nanodisks. Physical Review Applied, 13(5), 054054. https://link.aps.org/doi/10.1103/PhysRevApplied.13.054054

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, 582, 84-88. https://doi.org/10.1038/s41586-020-2314-9

DiLullo, C., Taylor, G. B., & Dowell, J. (2020). Using the long wavelength array to search for cosmic dawn. Arxiv. https://arxiv.org/pdf/2005.10669.pdf

Nikravesh, S., Ryu, D., & Shen, Y. (2020). Instability driven surface patterns: Insights from direct three-dimensional finite element simulations. Extreme Mechanics Letters, 39, 100779. https://doi.org/10.1016/j.eml.2020.100779

Zhou, L., Wang, Y., & Guo, H. (2020). Dynamics studies of diglycine scattering from highly oriented pyrolytic graphite. Chinese Journal of Chemical Physics, 33(2), 196-202. https://cps.scitation.org/doi/10.1063/1674-0068/cjcp2001013

Bhattarai, M., & Martínez-Ramón, M. (2020). A deep learning framework for detection of targets in thermal images to improve firefighting. IEEE Access, 8, 88308-88321. https://doi.org/10.1109/ACCESS.2020.2993767

Amarasinghe, C., Li, H., Perera, C. A., Besemer, M., Zuo, J., Xie, C., van der Avoird, A., Groenenboom, G. C., Guo, H., Klos, J. & Suits, A. G. (2020). State-to-state scattering of highly vibrationally excited NO at broadly tunable energies. Nature Chemistry, 12, 528-534. https://doi.org/10.1038/s41557-020-0466-8

Ruan, D., Taylor, G. B., Dowell, J., Stovall, K., Schinzel, F. K., & Demorest, P. B. (2020). Discovery of a pulsar wind nebula around B0950+08 with the ELWA. Arxiv. https://arxiv.org/pdf/2005.03303.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

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

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). https://doi.org/10.3389/fbuil.2020.00036

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

Yang, D., Zuo, 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, 11(7), 2605-2610. https://pubs.acs.org/doi/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(1). https://doi.org/10.1186/s12864-020-6534-z

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, 199(3), 681-687. https://doi.org/10.1007/s10909-020-02406-5

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, 59(5), 2781-2790. 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. The Journal of Physical Chemistry C, 124(9), 5174-5181. https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.9b10883

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

2019

Sanders, S. & Manjavacas, A. (2019). Nanoantennas with balanced gain and loss. Nanophotonics, 9(2), 473-480.

Noormofidi, V., Atlas, S. R., & Duan, H. (2019). Simulating collective neutrinos oscillations on the Intel Many Integrated Core (MIC) architecture. ArXiv.

Dunning, D., Marts, W., Robey, R. W., & Bridges, P. (2019). Adaptive mesh refinement in the fast lane. Journal of Computational Physics, 406, 109193.

Robinson, A. J., & Natvig, D. O. (2019). Diverse members of the Xylariales lack canonical mating-type regions. Fungal Genetics and Biology, 122, 47-52.

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.

Marquardt, K., Cavanagh, J. F., & Brigman, J. L. (2019). Alcohol exposure in utero disrupts cortico-striatal coordination required for behavioral flexibility. Neuropharmacology, 162, 107832.

Rubel, D., & Sang, L. (2019). Numerical perspectives on wind turbine wakes [Paper presentation]. 72 Annual Meeting of the American Physical Society Division of Fluid Dynamics, Seattle, WA.

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.

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), 2129-2175.

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.

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.

Morris, J., Cowen, B. J., Teysseyre, S., & Hecht, A. A. (2019). Molecular dynamics investigation of threshold displacement energies in CaF₂. Computational Materials Science, 172, 109293.

Buddenborg, S. K., Kamel, B., Hanelt, B., Bu, L., Zhang, S., Mkoji, G. M., & Loker, E. S. (2019). The in vivo transcriptome of Schistosoma mansoni in two prominent vector species, Biomphalaria pfeifferi and B. glabrata. PLOS Neglected Tropical Diseases, 13(9).

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.

Ajith, M., & Martínez-Ramón, M. (2019). Unsupervised segmentation of fire and smoke from infra-red videos. ArXiv.

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), 20190122.

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.

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.

Loring, T. (2019). Bulk spectrum and K-theory for infinite-area topological quasicrystals. Journal of Mathematical Physics, 60(8), 081903.

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.

Kurup, A. R., Ajith, M., & Martínez-Ramón, M. (2019). Semi-supervised facial expression recognition using reduced spatial features and Deep Belief Networks. Neurocomputing, 367, 188-197.

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.

Ruan, D., Taylor, G., Dowell, J., & Stovall, K. (2019). Discovery of a pulsar wind nebula around B0950+08 [PowerPoint presentation]. LWA Users Meeting, Albuquerque, NM.

Varghese, S. S., Obenberger, K., Taylor, G., & Dowell, J. (2019). Studying Meteor Radio Afterglows (MRAs) with the Long Wavelength Array [PowerPoint presentation]. LWA Users Meeting, Albuquerque, NM.

Loring, T. (2019). A guide to the Bott Index and Localizer Index. ArXiv.

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.

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(10), 1022-1026.

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.

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).

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), 086331.

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.

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.

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), 174305.

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.

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.

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.

Andersen, M. J., McCullough, J. M., Friedman, N. R., Townsend Peterson, A. Moyle, R. G., Joseph, L., & Nyri,. (2019). Ultraconserved elements resolve genus-level relationships in a major Australasian bird radiation (Aves: Meliphagidae). Emu-Austral Ornithology, 119(3), 218-232.</span

Bansal, K., Taylor, G. B., Stovall, K., & Dowell, J. (2019). Scattering study of pulsars below 100MHz Using LWA1. The Astrophysical Journal, 875(2), 146.

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.

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(2), 151.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

Perez, A. M., Lopez, O., & Poroseva, S. V. (2019). Free-vortex wake and CFD simulation of a small rotor for a quadcopter at hover [Paper presentation]. AIAA Scitech 2019 Forum, San Diego, CA.

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.

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.

2018

Barrow, L. N., Allen, J. M., Huang, X., Bensch, S., & Witt, C.C. (2018). Genomic sequence capture of haemosporidian parasites: Methods and prospects for enhanced study of host parasite evolution. Molecular ecology resources, 19(2), 400-410.

Shi, Y., & Lee, J. H. (2018). Sample size calculations for group randomized trials with unequal group sizes through Monte Carlo simulations. Statistical methods in medical research, 27(9), 2569-2580.

Zundel, L., & Manjavacas, A. (2018). Finite-size effects on periodic arrays of nanostructures. Journal of Physics: Photonics, 1(1), 015004.

Shi, Y., Wang, M., Shi, W., Lee, J. H., Kang, H., & Jiang, H. (2018). Accurate and efficient estimation of small P-values with the cross-entropy method: applications in genomic data analysis. Bioinformatics, 35(14), 2441-2448.

Li, D., Chung, H. T., Maurya, S., Matanovic I., & Kim, Y. S. (2018). Impact of ionomer adsorption on alkaline hydrogen oxidation activity and fuel cell performance. Current Opinion in Electrochemistry, 12, 189-195.

Colella, J. P., Wilson, R. E., Talbot, S. L., & Cook, J. A. (2018). Implications of introgression for wildlife translocations: the case of North American martens. Conservation Genetics, 20, 153-166.

Cowen, B. J., & El-Genk, M. S. (2018). Modelling and Simulation in Materials Science and Engineering, 26(8), 085005.

van Swol, F. B., & Petsev, D. N. (2018). Solution structure effects on the properties of electric double layers with surface charge regulation assessed by density functional theory. Langmuir, 34(46), 13808-13820.

Chen, Y., Matanovic, I., Weiler, E., Atanassov, P., & Artyushkova, K. (2018). Mechanism of oxygen reduction reaction on transition metal-nitrogen carbon catalysts: Establishing the role of nitrogen-containing active sites. ACS Applied Energy Materials, 1(11), 5948-5953.

Manjavacas, A. (2018). Controlling light with metallic nanostructures. 2018 Annual Meeting of the APS Four Corners Section, 63(16).

Mclean, B. S., Bell, K. C., Allen, J. M., Helgen, K. M., & Cook, J. A. (2018). Impacts of inference method and data set filtering on phylogenomic resolution in a rapid radiation of ground squirrels (Xerinae: Marmotini). Systematic Biology, 68(2), 298-316.

Heydarian, H., Schueder, F., Strauss, M. T., van Werkhoven, B., Fazel, M., Lidke, K. A. . . . & Rieger, B. (2018). Template-free 2D particle fusion in localization microscopy. Nature Methods, 15(10), 781-784.

Gisewhite, D. R., Yang, J., Williams, B. R., Esmail, A., Stein, B., Kirk, M. L., & Burgmayer, S. J. N. (2018). Implications of pyran cyclization and pterin conformation on oxidized forms of the molybdenum cofactor. Journal of the American Chemical Society, 140(40), 12808-12818.

Cowen, B. J., El-Genk, M. S., Hattar, K., & 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), 095901.

Maurya, S., Dumont, J. H., Villarrubia, C. N., Matanovic, I., Li, D., Kim, Y. S, Noh, S., Han, J., Bae, C., Miller, H. A., Fujimoto, C. H., & Dekel, D. R. (2018). Surface adsorption affects the performance of alkaline anion- exchange membrane fuel cells. ACS Catalysis, 8(10), 9429-9439.

Kafle, B., Gieri, P., Kookhaee, H., Tesema, T.E., Haq, S., Manjavacas, A., & Habteyes, T.G. (2018). Robust charge transfer plasmons in metallic particle–film systems. ACS Photonics, 5(10), 4022-4029.

Dunning, D. J. & Marts, W. P. (2018). Adaptive mesh refinement in the Fastlane (No. LA-UR-18-28159). Los Alamos National Laboratory.

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, 239-249. Springer, Cham.

Liu, Y., Matanovic, I., Hickey, D. P., Minteer, S. D., Atanassov, P., & Barton, S. C. (2018). Cascade kinetics of an 00000artificial metabolon by molecular dynamics and ki7unetic Monte Carlo. ACS Catalysis, 8, 7719-7726.

Asset, T., Serov, A., Padilla, M., Roy, A. J., Matanovic, I., Chatenet, M., Maillard, F., & Atanassov, P. (2018). Design of Pd-Pb catalysts for glycerol and ethylene glycol electrooxidation in alkaline medium. Electrocatalysis, 9, 480-485.

Yin, G., Hua, S. S. T., Pennerman, K. K., Yu, J., Bu, L., Sayre, R. T., & Bennett, J. W. (2018). Genome sequence and comparative analyses of atoxigenic Aspergillus flavus WRRL 1519. Mycologia, 110(3), 482-493.

Sanders, S., May, A., Alabastri, A., & Manjavacas, A. (2018). Extraordinary enhancement of quadrupolar transitions using nanostructured graphene. ACS Photonics, 5(8), 3282-3290.

Chen, T., Lehr, J. M., Lavrova, O., & Martínez-Ramón, M. (2018). Distribution feeder-level day-ahead peak load forecasting methods and comparative study. IET Generation, Transmission & Distribution, 12(13), 3270-3278.

Zhang, S., Bu, L., Laidemitt, M. R., Lu, L., Mutuku, M. W., Mkoji, G. M., & Loker, E. S. (2018). Complete mitochondrial and rDNA complex sequences of important vector species of Biomphalaria, obligatory hosts of the human-infecting blood fluke, Schistosoma mansoni. Scientific Reports, 8(1), 7341.

Matanovic, I., & Garzon, F. H. (2018). Nitrogen electroreduction and hydrogen evolution on cubic molybdenum carbide: A density functional study. Physical Chemistry Chemical Physics, 20(21), 14679-14687.

Rojas-Carbonell, S., Artyushkova, K., Serov, A., Carlo, S. Matanovic, I., & Atanassov, P. (2018). Effect of pH on the activity of platinum group metal-free catalysts in oxygen reduction reaction. ACS Catalysis, 8(4), 3041-3053.

Chen, Y., Artyushkova, K., Rojas-Carbonell, S., Serov, A., Matanovic, I., Santoro, C., Asset, T., & Atanassov, P. (2018). Inhibition of surface chemical moieties by tris(hydroxymethyl)aminomethane: A key to understanding oxygen reduction on iron-nitrogen-carbon catalysts. ACS Applied Energy Materials, 1(5), 1942-1949.

Matanovic, I., Artyushkova, K., & Atanassov, P. (2018). Understanding PGM-free catalysts by linking density functional theory calculations and structural analysis: Perspectives and challenges. Current Opinion in Electrochemistry, 9, 137-144.

Estrada, T., Benson, J., Carrillo-Cabada, H., Razavi, A. M., Cuendet, M. A., Weinstein, H., Deelman, E., & Taufer, M. (2018). Graphic encoding of macromolecules for efficient high-throughput analysis. BCB ’18: Proceedings of the 2018 AMC International Conference on Bioinformatics, Computational Biology, and Health Informatics, 315-324.

Maurya, S., Dumont, J., Narvaez Villarrubia, C., Matanovic, I., Li, D., Kim, Y.S., Noh, S., Han, J., Bae, C., Miller, H.A. and Fujimoto, C.H. (2018). Surface adsorption affects the performance of alkaline anion-exchange membrane fuel cells. ACS Catalysis.

Abaie, B., Peysokhan, M., Zhao, J., Antonio-Lopez, J.E., Amezcua-Correa, R., Schülzgen, A., & Mafi, A. (2018). Disorder-induced high-quality wavefront in an Anderson localizing optical fiber. Optica, 5(8), 984-987.

Abaie, B., & Mafi, A. (2018). Modal area statistics for transverse Anderson localization in disordered optical fibers. Optics Letters, 43(16), 3834-3837.

Zhou, L., Jiang, B., Alducin, M., & 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), 031101.

Chen, X., Peterson, M., Benson, J., Taufer, M., & Estrada, T. (2018). KeyBin2: Distributed clustering for scalable and in-situ analysis.

Benson, B. W., Iyer, S. R., Kemper, K.J., & Zhao, J. (2018). Director networks and credit ratings. Financial Review, 53(2), 301-336.

El-Genk, M.S., Talaat, K., & Cowen, B.J. (2018). Thermal conductivity of silicon using reverse non-equilibrium molecular dynamics. Journal of Applied Physics, 123(20), 205104.

Cowen, B.J., & El-Genk, M.S. (2018). Point defects production and energy thresholds for displacements in crystalline and amorphous SiC. Computational Materials Science, 151, 73-83.

Xia, C., Liu, X., & 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., & 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., & 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, S., & Manjavacas, A. (2018). Analysis of the limits of the local density of photonic states near nanostructures. ACS Photonics.

Baur, S., Sanders, S., & Manjavacas, A. (2018). Hybridization of lattice resonances. ACS Nano.

Vangara, R., F. van Swol, & D. N. Petsev. (2018). Solvophilic and solvophobic surfaces and non-Coulombic surface interactions in charge regulating electric double layers. The Journal of Chemical Physics, 148(4), 044702.

Lu, Q., Hecker, J.P., & Moses, M.E. (2018). Multiple-place swarm foraging with dynamic depots. Autonomous Robots, 1-18.

Hjelm, N., Dosanjh, M. G. F., Grant, R., Groves, T., Bridges, P. G., & Arnold, D. (2018). Improving MPI multi-threaded RMA communication performance. Proceedings of the International Conference on Parallel Processing (ICPP 2018), Eugene, Oregon.

Schonbein, W., Dosanjh, M. G. F., Grant, R. E., & Bridges, P. G. (2018). Measuring multithreaded message matching misery. Proceedings of the 2018 European Conference on Parallel Processing (EuroPar 2018), 480–491.

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, 239-249.

2017

I. Matanovic, H. Taek Chungand Y.-S. Kim, Benzene Adsorption: A Significant Inhibitor for the Hydrogen Oxidation Reaction in Alkaline Conditions, 8(19), 4918–4924 (2017).

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 Acta, 231, 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, Biointerphases, 12, 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 boidinii. Chemical Communications, 53(39), pp.5368-5371.

Byrne, C.F., 2017. Supporting Data for a Numerical Investigation of the Implications of Altered Channel-Floodplain Connectivity on Hydrodynamic Flood Wave Processes.

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. 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.

Vangara, R., van Swol, F. and Petsev, D.N., 2017. Ionic solvation and solvent-solvent interaction effects on the charge and potential distributions in electric double layers. The Journal of Chemical Physics, 147(21), p.214704.

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.(LLNL), Livermore, CA (United States).

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. Modelling and Simulation in Materials Science and Engineering.

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. keybin: Key-Based Binning for Distributed Clustering. In Cluster Computing (CLUSTER), 2017 IEEE International Conference on (pp. 572-581). IEEE.

Foteinopoulou, S. and Devarapu, G.C.R., 2017, July. Perfectly asymmetric reflection enables unidirectional emission in a phonon-polariton (reststrahlen-band) material platform. In Transparent Optical Networks (ICTON), 2017 19th International Conference on (pp. 1-4). IEEE.

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

Alanzi, A.R. and Degnan, J.H., 2017. Inferring rooted species trees from unrooted gene trees using approximate Bayesian computation. Molecular Phylogenetics and Evolution.

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: Gyrininae). Zoological Journal of the Linnean Society, p. zlw014.

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. 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.

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., D. C. R. Brown, F. van Swol, and D. N. Petsev. "Electrolyte solution structure and its effect on the properties of electric double layers with surface charge regulation." Journal of colloid and interface science 488 (2017): 180-189.