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Publications from WVU HPC Resources


Carrara, J. E., Walter, C. A., Freedman, Z. B., Hostetler, A. N., Hawkins, J. S., Fernandez, I. J., & Brzostek, E. R. (2021). Differences in microbial community response to nitrogen fertilization result in unique enzyme shifts between arbuscular and ectomycorrhizal dominated soils. Global Change Biology, .

Singh, V., Herath, U., Wah, B., Liao, X., Romero, A. H., & Park, H. (2021). DMFTWDFT: An open-source code combining dynamical mean field theory with various density functional theory packages. Computer Physics Communications, 261107778.

Price, B. S., Molstad, A. J., & Sherwood, B. (2021). Estimating Multiple Precision Matrices with Cluster Fusion Regularization. Journal of Computational and Graphical Statistics, 1-30.


Karanji, A. K., Beasley, M., Sharif, D., Ranjbaran, A., Legleiter, J., & Valentine, S. J. (2020). Investigating the interactions of the first 17 amino acid residues of Huntingtin with lipid vesicles using mass spectrometry and molecular dynamics. Journal of Mass Spectrometry, 55(1), e4470.

Ravishankar, A., Cumming, J. R., & Gallagher, J. E. (2020). Mitochondrial metabolism is central for response and resistance of Saccharomyces cerevisiae to exposure to a glyphosate-based herbicide. Environmental Pollution, 262114359.

Wang, M., Zhang, L., Zhang, Z., Li, M., Wang, D., Zhang, X., Xi, Z., Keefover‐Ring, K., Smart, L. B., DiFazio, S. P., Olson, M. S., Yin, T., Liu, J., & Ma, T. (2020). Phylogenomics of the genus Populus reveals extensive interspecific gene flow and balancing selection. New Phytologist, 225(3), 1370-1382.

Yang, W., Zhang, Z., Wang, D., Li, Y., Tong, S., Li, M., Zhang, X., Zhang, L., Ren, L., Ma, X., Zhou, R., Sanderson, B. J., Keefover-Ring, K., Yin, T., Smart, L. B., Liu, J., DiFazio, S. P., Olson, M., & Ma, T. (2020). A general model to explain repeated turnovers of sex determination in the Salicaceae. BioRxiv, .

Simon, S. J., Tschaplinski, T. J., LeBoldus, J. M., Keefover‐Ring, K., Azeem, M., Chen, J., Macaya‐Sanz, D., MacDonald, W. L., Muchero, W., & DiFazio, S. P. (2020). Host plant genetic control of associated fungal and insect species in a Populus hybrid cross. Ecology and evolution, 10(11), 5119-5134.

Singh, S., Lang, L., Dovale-Farelo, V., Herath, U., Tavadze, P., Coudert, F., & Romero, A. H. (2020). MechElastic: A Python Library for Analysis of Mechanical and Elastic Properties of Bulk and 2D Materials. arXiv preprint arXiv:2012.04758, .

Garapati, N., Irr, V. J., & Lamb, B. (2020). Feasibility Analysis of Deep Direct-Use Geothermal on the West Virginia University Campus-Morgantown, WV. Energy & Fuels, .

Freeman, S., Elzamzamy, O., Geldenhuys, W., & Hazlehurst, L. (2020). CLIC1 is an Attractive Candidate for the Initial Binding Target of the Novel Peptide MTI‐101. The FASEB Journal, 34(S1), 1-1.

Lee, J., Caster, K., Maddaleno, T., Donnellan, Z., Selby, T. M., & Goulay, F. (2020). Kinetic study of the CN radical reaction with 2‐methylfuran. International Journal of Chemical Kinetics, 52(11), 838-851.

Govindarajulu, R., Henderson, A. N., Xiao, Y., Chaluvadi, S. R., Mauro-Herrera, M., Siddoway, M. L., Whipple, C. J., Bennetzen, J. L., Devos, K. M., Doust, A. N., & Hawkins, J. S. (2020). Integration of high-density genetic mapping with transcriptome analysis uncovers numerous agronomic QTL and reveals candidate genes for the control of tillering in sorghum. bioRxiv, .

Ramachandran, D., McKain, M. R., Kellogg, E. A., & Hawkins, J. S. (2020). Evolutionary dynamics of transposable elements following a shared polyploidization event in the tribe Andropogoneae. G3: Genes, Genomes, Genetics, 10(12), 4387-4398.

Licata, R. J., & Mehta, P. M. (2020). Physics-informed machine learning with autoencoders and LSTM for probabilistic space weather modeling and forecasting. 100th American Meteorological Society Annual Meeting, .

Zhou, R., Macaya-Sanz, D., Carlson, C. H., Schmutz, J., Jenkins, J. W., Kudrna, D., Sharma, A., Sandor, L., Shu, S., Barry, K., Tuskan, G. A., Ma, T., Liu, J., Olson, M., Smart, L. B., & DiFazio, S. P. (2020). A willow sex chromosome reveals convergent evolution of complex palindromic repeats. Genome Biology, 21(1), 1-19.

Tong, X., Mebane, D. S., (2020). Analyzing the grain‐boundary resistance of oxide‐ion conducting electrolytes: Poisson‐Cahn vs Poisson‐Boltzmann theories. Journal of the American Ceramic Society, 103(1), 5-22.

Tong, X., Bowman, W. J., Mejia-Giraldo, A., Crozier, P. A., & Mebane, D. S. (2020). New Data-Driven Interacting-Defect Model Describing Nanoscopic Grain Boundary Compositions in Ceramics. The Journal of Physical Chemistry C, 124(43), 23619-23625.

Yasin, A. S., & Musho, T. D. (2020). A machine learning approach for increased throughput of density functional theory substitutional alloy studies. Computational Materials Science, 181109726.

Yang, W., Zhang, Z., Wang, D., Li, Y., Tong, S., Li, M., Zhang, X., Zhang, L., Ren, L., Ma, X., Zhou, R., Sanderson, B. J., Keefover-Ring, K., Yin, T., Smart, L. B., Liu, J., DiFazio, S. P., Olson, M., & Ma, T. (2020). A general model to explain repeated turnovers of sex determination in the Salicaceae. bioRxiv, .

Wang, J., Koganti, P. P., & Yao, J. (2020). Systematic identification of long intergenic non-coding RNAs expressed in bovine oocytes. Reproductive Biology and Endocrinology, 18(1), 1-9.

Mewes, V., Zlochower, Y., Campanelli, M., Baumgarte, T. W., Etienne, Z. B., (2020). Numerical relativity in spherical coordinates: A new dynamical spacetime and general relativistic MHD evolution framework for the Einstein Toolkit. Physical Review D, 101(10), 104007.

Lewandowski, C. W., Knowles, T. D., Etienne, Z. B., & D’Urso, B. (2020). Active optical table tilt stabilization. Review of Scientific Instruments, 91(7), 076102.

Mewes, V., Zlochower, Y., Campanelli, M., Baumgarte, T. W., Etienne, Z. B., (2020). SphericalNR: A dynamical spacetime and general relativistic MHD evolution framework in spherical coordinates for the Einstein Toolkit. arXiv preprint arXiv:2002.06225, .

Gaertner, B., Fernandez, R., & Zegre, N. (2020). Twenty-first century streamflow and climate change in forest catchments of the central Appalachian Mountains region, US. Water, 12(2), 453.


Pupo, A., Ayers, M. C., Sherman, Z. N., Vance, R. J., Cumming, J. R., & Gallagher, J. E. (2019). MCHM acts as a hydrotrope, altering the balance of metals in yeast. Biological trace element research, 1-12.

Carlson, C. H., Gouker, F. E., Crowell, C. R., Evans, L., DiFazio, S. P., Smart, C. D., & Smart, L. B. (2019). Joint linkage and association mapping of complex traits in shrub willow (Salix purpurea L.). Annals of Botany, 124(4), 701-715.

Gouker, F. E., DiFazio, S. P., Bubner, B., Zander, M., & Smart, L. B. (2019). Genetic diversity and population structure of native, naturalized, and cultivated Salix purpurea. Tree Genetics & Genomes, 15(3), 1-14.

Meymian, N. Z., Clark, N., Subramanian, J., Heiskell, G., Johnson, D., Mahmudzadeh, F., Darzi, M., Musho, T., & Famouri, P. (2019). Quantification of windage and vibrational losses in flexure springs of a one kW two-stroke free piston linear engine alternator. Cryogenics, (2019-01-0816), .

Garapati, N., Alonge, O. B., Hall, L., Irr, V. J., Zhang, Y., Smith, J. D., Jeanne, P., & Doughty, C. (2019). Feasibility of Development of Geothermal Deep Direct-Use District Heating and Cooling system at West Virginia University Campus - Morgantown, WV. Energy & Fuels, (DOE-WVU-SGW), .

Joubert, J., Strydom, N., Geldenhuys, W. J., Greyling, Y., Dyk, S. V., & Malan, S. F. (2019). Hexacyclododecylamines with Sigma-1 receptor affinity and calcium channel modulating ability. The Open Medicinal Chemistry Journal, 13(1), .

Geldenhuys, W. J., Long, T. E., Saralkar, P., Iwasaki, T., Nuñez, R. A., Nair, R. R., Konkle, M. E., Menze, M. A., Pinti, M. V., Hollander, J. M., Hazlehurst, L. A., & Robart, A. R. (2019). Crystal structure of the mitochondrial protein mitoNEET bound to a benze-sulfonide ligand. Communications chemistry, 2(1), 1-9.

Caster, K. L., Donnellan, Z. N., Selby, T. M., & Goulay, F. (2019). Kinetic Investigations of the CH (X2Π) Radical Reaction with Cyclopentadiene. The Journal of Physical Chemistry A, 123(27), 5692-5703.

Dong, Z., Xiao, Y., Govindarajulu, R., Feil, R., Siddoway, M. L., Nielsen, T., Lunn, J. E., Hawkins, J., Whipple, C., & Chuck, G. (2019). The regulatory landscape of a core maize domestication module controlling bud dormancy and growth repression. Nature communications, 10(1), 1-15.

Licata, R., & Mehta, P. M. (2019). Physics-informed Machine Learning for Probabilistic Space Weather Modeling and Forecasting: Thermosphere and Satellite Drag. AGU Fall Meeting Abstracts, 2019SM31E-3198.

Ostace, A., Kocan, K. X., Mebane, D. S., Schmal, J. P., & Bhattacharyya, D. (2019). Probabilistic Model Building with Uncertainty Quantification and Propagation for a Dynamic Fixed Bed CO2 Capture Process. Energy & Fuels, 34(2), 2516-2532.

Westerfield, J., Gupta, C., Scott, H., Ye, Y., Cameron, A., Mertz, B., & Barrera, F. N. (2019). Ions Modulate Key Interactions between pHLIP and Lipid Membranes. Biophysical Journal, 117(5), 920-929.

Lee, C., Sekharan, S., & Mertz, B. (2019). Theoretical Insights into the Mechanism of Wavelength Regulation in Blue-Absorbing Proteorhodopsin. The Journal of Physical Chemistry B, 123(50), 10631-10641.

Yang, H., Bright, J., Kasani, S., Zheng, P., Musho, T., Chen, B., Huang, L., & Wu, N. (2019). Metal–organic framework coated titanium dioxide nanorod array p–n heterojunction photoanode for solar water-splitting. Nano Research, 12(3), 643-650.

Liu, J., Wang, A., Pu, K., Zhang, S., Yang, J., Musho, T., & Chen, L. (2019). The effect of Fe vacancies and Cu adhesion on the magnetic properties of Fe 3 GeTe 2. Physical Chemistry Chemical Physics, 21(14), 7588-7593.

Bai, X., Robinson, B., Musho, T., Killmer, C., Wang, Y., & Hu, J. (2019). Microwave Catalytic Reactor for Converting Light Alkane to Aromatics. 2019 AIChE Annual Meeting, .

Porth, O., Chatterjee, K., Narayan, R., Gammie, C. F., Mizuno, Y., Anninos, P., Baker, J. G., Bugli, M., Chan, C., Davelaar, J., Zanna, L. D., Etienne, Z. B., Fragile, P. C., Kelly, B. J., Liska, M., Markoff, S., McKinney, J. C., Mishra, B., Noble, S. C., Olivares, H., Prather, B., Rezzolla, L., Ryan, B. R., Stone, J. M., Tomei, N., White, C. J., Younsi, Z., Akiyama, K., Alberdi, A., Alef, W., Asada, K., Azulay, R., Baczko, A., Ball, D., Baloković, M., Barrett, J., Bintley, D., Blackburn, L., Boland, W., Bouman, K. L., Bower, G. C., Bremer, M., Brinkerink, C. D., Brissenden, R., Britzen, S., Broderick, A. E., Broguiere, D., Bronzwaer, T., Byun, D., Carlstrom, J. E., Chael, A., Chatterjee, S., Chen, M., Chen, Y., Cho, I., Christian, P., Conway, J. E., Cordes, J. M., Geoffrey, B., Cui, Y., Laurentis, M. D., Deane, R., Dempsey, J., Desvignes, G., Doeleman, S. S., Eatough, R. P., Falcke, H., Fish, V. L., Fomalont, E., Fraga-Encinas, R., Freeman, B., Friberg, P., Fromm, C. M., Gómez, J. L., Galison, P., García, R., Gentaz, O., Georgiev, B., Goddi, C., Gold, R., Gu, M., Gurwell, M., Hada, K., Hecht, M. H., Hesper, R., Ho, L. C., Ho, P., Honma, M., Huang, C. L., Huang, L., Hughes, D. H., Ikeda, S., Inoue, M., Issaoun, S., James, D. J., Jannuzi, B. T., Janssen, M., Jeter, B., Jiang, W., Johnson, M. D., Jorstad, S., Jung, T., Karami, M., Karuppusamy, R., Kawashima, T., Keating, G. K., Kettenis, M., Kim, J., Kim, J., Kim, J., Kino, M., Koay, J. Y., Patrick, M. K., Koyama, S., Kramer, M., Kramer, C., Krichbaum, T. P., Kuo, C., Lauer, T. R., Lee, S., Li, Y., Li, Z., Lindqvist, M., Liu, K., Liuzzo, E., Lo, W., Lobanov, A. P., Loinard, L., Lonsdale, C., Lu, R., MacDonald, N. R., Mao, J., Marrone, D. P., Marscher, A. P., Martí-Vidal, I., Matsushita, S., Matthews, L. D., Medeiros, L., Menten, K. M., Mizuno, I., Moran, J. M., Moriyama, K., Moscibrodzka, M., Müller, C., Nagai, H., Nagar, N. M., Nakamura, M., Narayanan, G., Natarajan, I., & Neri, R. (2019). The event horizon general relativistic magnetohydrodynamic code comparison project. The Astrophysical Journal Supplement Series, 243(2), 26.

Silberman, Z. J., Adams, T. R., Faber, J. A., Etienne, Z. B., & Ruchlin, I. (2019). Numerical generation of vector potentials from specified magnetic fields. Journal of Computational Physics, 379421-437.

Gaertner, B. A., Zegre, N., Warner, T., Fernandez, R., He, Y., & Merriam, E. R. (2019). Climate, forest growing season, and evapotranspiration changes in the central Appalachian Mountains, USA. Science of the total Environment, 6501371-1381.

Young, D., Zegre, N., Edwards, P., & Fernandez, R. (2019). Assessing streamflow sensitivity of forested headwater catchments to disturbance and climate change in the central Appalachian Mountains region, USA. Science of The Total Environment, 694133382.

Guillen, L. A., Zegre, N., McNeil, B. E., & Brzostek, E. R. (2019). The importance of field-based drought experiments in the setting of a pluvial: transpiration dynamics of two dominant broad-leaved tree species in West Virginia.. AGU Fall Meeting 2019, .


Barbero, E. J., & Bedard, A. J. (2018). Electrical percolation threshold of magnetostrictive inclusions in a piezoelectric matrix composite as a function of relative particle size. Computational Particle Mechanics, 5(2), 227-238.

Tuskan, G. A., Groover, A. T., Schmutz, J., DiFazio, S. P., Myburg, A., Grattapaglia, D., Smart, L. B., Yin, T., Aury, J., Kremer, A., Leroy, T., Provost, G. L., Plomion, C., Carlson, J. E., Randall, J., Westbrook, J., Grimwood, J., Muchero, W., Jacobson, D., & Michener, J. K. (2018). Hardwood tree genomics: Unlocking woody plant biology. New Phytologist, 91799.

Meymian, N. Z., Clark, N. N., Musho, T., Darzi, M., Johnson, D., & Famouri, P. (2018). An optimization method for flexural bearing design for high-stroke high-frequency applications. Cryogenics, 9582-94.

Sridhara, P., Anderson, B. J., Garapati, N., Seol, Y., & Myshakin, E. M. (2018). Novel Technological Approach To Enhance Methane Recovery from Class 2 Hydrate Deposits by Employing CO2 Injection. Energy & Fuels, 32(3), 2949-2961.

Bland, C. L., Byrne‐Hoffman, C. N., Fernandez, A., Rellick, S. L., Deng, W., & Klinke, D. J. (2018). Exosomes derived from B16F0 melanoma cells alter the transcriptome of cytotoxic T cells that impacts mitochondrial respiration. The FEBS journal, 285(6), 1033-1050.

Zhou, R., Macaya-Sanz, D., Rodgers-Melnick, E., Carlson, C. H., Gouker, F. E., Evans, L. M., Schmutz, J., Jenkins, J. W., Yan, J., Tuskan, G. A., Smart, L. B., & DiFazio, S. P. (2018). Characterization of a large sex determination region in Salix purpurea L. (Salicaceae). Molecular Genetics and Genomics, 293(6), 1437-1452.

Gupta, C., Ren, Y., & Mertz, B. (2018). Cooperative Non-bonded Forces Control Membrane Binding of the pH-Low Insertion Peptide pHLIP. Biophysical Journal, 115(12), 2403-2412.

Faramarzi, S., Feng, J., & Mertz, B. (2018). Allosteric Effects of the Proton Donor on the Microbial Proton Pump Proteorhodopsin. Biophysical journal, 115(7), 1240-1250.

Li, J., Musho, T., Bright, J., & Wu, N. (2018). Functionalization of a metal-organic framework semiconductor for tuned band structure and catalytic activity. Journal of The Electrochemical Society, 166(5), H3029.

Musho, T. D., & Yasin, A. S. (2018). Ab-initio Study of the Electron Mobility in a Functionalized UiO-66 Metal Organic Framework. Journal of Electronic Materials, 47(7), 3692-3700.

Tempke, R., Wildfire, C., Shekhawat, D., & Musho, T. (2018). Dielectric Measurement of Powdery Materials using a Coaxial Transmission Line. arXiv preprint arXiv:1810.11472, .

Singh, S., Valencia-Jaime, I., Pavlic, O., & Romero, A. H. (2018). Elastic, mechanical, and thermodynamic properties of Bi-Sb binaries: Effect of spin-orbit coupling. Physical Review B, 97(5), 054108.

Mewes, V., Zlochower, Y., Campanelli, M., Ruchlin, I., Etienne, Z. B., & Baumgarte, T. W. (2018). Numerical relativity in spherical coordinates with the Einstein Toolkit. Physical Review D, 97(8), 084059.

Etienne, Z., Ruchlin, I., & Baumgarte, T. (2018). SENR/NRPy+: Numerical Relativity in Singular Curvilinear Coordinate Systems. APS April Meeting Abstracts, 2018S13. 004.

Guillen, L. A., Zegre, N., & Fernandez, R. (2018). Evaluating the Stability of Headwater Reference Catchments from Long-Term Paired Watershed Studies: an Eastern Perspective.. AGU Fall Meeting Abstracts, 2018H33L-2236.


Hartman, Z., Geldenhuys, W. J., & Agazie, Y. M. (2017). A specific amino acid context in EGFR and HER2 phosphorylation sites enables selective binding to the active site of Src homology phosphatase 2 (SHP2). Journal of Biological Chemistry, 295(11), 3563-3575.

Zurhelle, A. F., Tong, X., Klein, A., Mebane, D. S., (2017). A space‐charge treatment of the increased concentration of reactive species at the surface of a ceria solid solution. Angewandte Chemie, 129(46), 14708-14712.

Li, K., Mahapatra, P., Bhat, K. S., Miller, D. C., & Mebane, D. S. (2017). Multi-scale modeling of an amine sorbent fluidized bed adsorber with dynamic discrepancy reduced modeling. Reaction Chemistry & Engineering, 2(4), 550-560.

Faramarzi, S., Bonnett, B., Scaggs, C. A., Hoffmaster, A., Grodi, D., Harvey, E., & Mertz, B. (2017). Molecular dynamics simulations as a tool for accurate determination of surfactant micelle properties. Langmuir, 33(38), 9934-9943.

Cai, M., Marelli, U. K., Mertz, B., Beck, J. G., Opperer, F., Rechenmacher, F., Kessler, H., & Hruby, V. J. (2017). Structural Insights into Selective Ligand–Receptor Interactions Leading to Receptor Inactivation Utilizing Selective Melanocortin 3 Receptor Antagonists. Biochemistry, 56(32), 4201-4209.

Prince, J., (2017). A Novel Approach to Battlefield Wound Assessment and Treatment for Forward Surgical Teams. HDIAC Journal, 440-45.

Koneru, A., & Musho, T. D. (2017). Predicting the Spin Seebeck Voltage in Spin-polarized Materials: A Quantum Mechanical Transport Model Approach. arXiv preprint arXiv:1712.04074, .

Li, J., Musho, T., Bright, J., & Wu, N. (2017). Transformation of a Metal-organic Framework for Tuned Catalytic Activity. arXiv preprint arXiv:1704.06863, .

Kelly, B. J., Baker, J. G., Etienne, Z. B., Giacomazzo, B., & Schnittman, J. (2017). Prompt electromagnetic transients from binary black hole mergers. Physical Review D, 96(12), 123003.

Kelly, B., Etienne, Z., Giacomazzo, B., Baker, J., & Schnittman, J. (2017). Distinguishing transients from merger characteristics in EM signals from black hole binary mergers.. APS April Meeting Abstracts, 2017R3. 005.

Fernandez, R., & Zegre, N. (2017). Assessment of 21st century change of climate drivers to hydrological change across the Appalachian Region. AGU Fall Meeting Abstracts, 2017GC31F-02.


Bourgalais, J., Spencer, M., Osborn, D. L., Goulay, F., & Picard, S. L. (2016). Reactions of atomic carbon with butene isomers: Implications for molecular growth in carbon-rich environments. The Journal of Physical Chemistry A, 120(46), 9138-9150.

Li, K., Kress, J. D., & Mebane, D. S. (2016). The Mechanism of CO2 Adsorption under Dry and Humid Conditions in Mesoporous Silica-Supported Amine Sorbents. The Journal of Physical Chemistry C, 120(41), 23683-23691.

Lee, C., & Mertz, B. (2016). Theoretical evidence for multiple charge transfer pathways in Bacteriorhodopsin. Journal of chemical theory and computation, 12(4), 1639-1646.

Yasin, A. S., Li, J., Wu, N., & Musho, T. (2016). Study of the inorganic substitution in a functionalized UiO-66 metal–organic framework. Physical Chemistry Chemical Physics, 18(18), 12748-12754.

Musho, T., Li, J., & Wu, N. (2016). Thermodynamics of the oxygen evolution electrocatalysis in a functionalized UiO‐66 metal‐organic frameworks. International Journal of Quantum Chemistry, 116(15), 1153-1159.

Singh, S., Garcia-Castro, A., Valencia-Jaime, I., Munoz, F., & Romero, A. H. (2016). Prediction and control of spin polarization in a Weyl semimetallic phase of BiSb. Physical Review B, 94(16), 161116.


Bilgili, S. A.(2015). Acceleration of Non-Equidiffusive Flames in Channels: Computational Simulations and Analytical Studies. Journal of Mass Spectrometry, .

Hawkins, J. S., Ramachandran, D., Henderson, A., Freeman, J., Carlise, M., Harris, A., & Willison-Headley, Z. (2015). Phylogenetic reconstruction using four low-copy nuclear loci strongly supports a polyphyletic origin of the genus Sorghum. Annals of Botany, 116(2), 291-299.

Arndt, J. R., Kondalaji, S. G., Maurer, M. M., Parker, A., Legleiter, J., & Valentine, S. J. (2015). Huntingtin N-terminal monomeric and multimeric structures destabilized by covalent modification of heteroatomic residues. Biochemistry, 54(28), 4285-4296.

Blair, J., & Mebane, D. S. (2015). A Bayesian approach to electrical conductivity relaxation and isotope exchange/secondary ion mass spectrometry. Solid State Ionics, 27047-53.

Feng, J., Brown, M. F., & Mertz, B. (2015). Retinal flip in rhodopsin activation?. Biophysical journal, 108(12), 2767-2770.

Mertz, B., Feng, J., Corcoran, C., & Neeley, B. (2015). Explaining the mobility of retinal in activated rhodopsin and opsin. Photochemical & Photobiological Sciences, 14(11), 1952-1964.

Musho, T., & Wu, N. (2015). Ab initio calculation of electronic charge mobility in metal–organic frameworks. Physical Chemistry Chemical Physics, 17(39), 26160-26165.

Musho, T.(2015). Predicting the figure of merit of nanostructured thermoelectric materials. Journal of Materials Research, 30(17), 2628-2637.

Musho, T., Li, J., & Wu, N. (2015). Thermodynamics of the Oxygen Evolution Electrocatalysis in Metal-Organic Frameworks. arXiv preprint arXiv:1510.04851, .

Etienne, Z. B., Paschalidis, V., Haas, R., Mösta, P., & Shapiro, S. L. (2015). IllinoisGRMHD: an open-source, user-friendly GRMHD code for dynamical spacetimes. Classical and Quantum Gravity, 32(17), 175009.


Hawkins, J. S., Delgado, V., Feng, L., Carlise, M., Dooner, H. K., & Bennetzen, J. L. (2014). Variation in allelic expression associated with a recombination hotspot in Zea mays. The Plant Journal, 79(3), 375-384.

(2014). Band gap modulation of functionalized metal-organic frameworks. Phys Chem Chem Phys, 16(43), 23646-53.

Musho, T., Koneru, A., & Mebane, D. (2014). Predicting the Influence of Secondary Phases on the Thermoelectric Performance in Cobalt Containing Spinels (ACo2O4; A={Co,Ni,Zn}). APS March Meeting Abstracts, 2014Y25. 006.


Garapati, N.(2013). Reservoir simulation for production of CH4 from gas hydrate reservoirs using CO2/CO2+ N2 by HydrateResSim. Cryogenics, .

Anderson, B., Garapati, N., & McGuire, P. (2013). Reservoir Modelling and Numerical Analysis of the Iġnik Sikumi Gas Hydrate Field Trial. Energy & Fuels, cp-349-00004.

Mebane, D. S., Kress, J. D., Storlie, C. B., Fauth, D. J., Gray, M. L., & Li, K. (2013). Transport, Zwitterions, and the Role of Water for CO2 Adsorption in Mesoporous Silica-Supported Amine Sorbents. The Journal of Physical Chemistry C, 117(50), 26617-26627.