James P. Lewis, Ph.D.
Affiliations: | West Virginia University | West Virginia University, Morgantown, WV, United States |
Area:
Condensed matter physicsWebsite:
http://fireball.phys.wvu.edu/Google:
"James Lewis"Mean distance: 10.34
Cross-listing: Physics Tree
Children
Sign in to add trainee| Jillian E. Hardee | grad student | 2009 | West Virginia University |
| Amy L. Prostko | grad student | 2012 | West Virginia University |
| Hilaire Chevreau | post-doc | University of Utah |
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Publications
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| Panapitiya G, Avendaño-Franco G, Lewis JP. (2019) Structural and electronic properties of Fe-doped silver delafossites: AgAl1−xFexO2 and AgGa1−xFexO2 (x = 1–5%) Computational Materials Science. 170: 109173 |
| Panapitiya G, Wang H, Chen Y, et al. (2018) Structural and catalytic properties of the AuAg(SCH) (x = 6, 7, 8) nanocluster. Physical Chemistry Chemical Physics : Pccp |
| Mendieta-Moreno JI, Trabada DG, Mendieta J, et al. (2016) Quantum Mechanics / Molecular Mechanics Free Energy Maps and Nonadiabatic Simulations for a Photochemical Reaction in DNA: Cyclobutane Thymine Dimer. The Journal of Physical Chemistry Letters |
| Zobač V, Lewis JP, Jelínek P. (2016) Non-adiabatic molecular dynamic simulations of opening reaction of molecular junctions. Nanotechnology. 27: 285202 |
| Zoba? V, Lewis JP, Abad E, et al. (2015) Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 175002 |
| Mendieta-Moreno JI, Walker RC, Lewis JP, et al. (2014) fireball/amber: An Efficient Local-Orbital DFT QM/MM Method for Biomolecular Systems. Journal of Chemical Theory and Computation. 10: 2185-93 |
| Neukirch AJ, Shamberger LC, Abad E, et al. (2014) Nonadiabatic Ensemble Simulations of cis-Stilbene and cis-Azobenzene Photoisomerization. Journal of Chemical Theory and Computation. 10: 14-23 |
| Haycock BJ, Kylee Rice M, Lewis JP. (2014) High-throughput calculations of alloyed delafossite materials: Application to CuGa1-xFexO2 Computational Materials Science. 86: 155-164 |
| Haycock BJ, Lander G, Rice MK, et al. (2014) High-throughput evaluation in nitrogen doping of amorphous titanium dioxide Physica Status Solidi (B) Basic Research. 251: 1225-1230 |
| Abad E, Lewis JP, Zoba? V, et al. (2013) Calculation of non-adiabatic coupling vectors in a local-orbital basis set. The Journal of Chemical Physics. 138: 154106 |