Sabry G. Moustafa
Affiliations: | State University of New York, Buffalo, Buffalo, NY, United States |
Google:
"Sabry Moustafa"
BETA: Related publications
See more...
Publications
|
You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect. |
| Moustafa SG, Purohit A, Schultz AJ, et al. (2021) pyHMA: A VASP post-processor for precise measurement of crystalline anharmonic properties using harmonically mapped averaging Computer Physics Communications. 258: 107554 |
| Moustafa SG, Schultz AJ, Kofke DA. (2018) Effects of thermostatting in molecular dynamics on anharmonic properties of crystals: Application to fcc Al at high pressure and temperature. The Journal of Chemical Physics. 149: 124109 |
| Schultz AJ, Moustafa SG, Kofke DA. (2018) No system-size anomalies in entropy of bcc iron at Earth's inner-core conditions. Scientific Reports. 8: 7295 |
| Purohit A, Schultz AJ, Moustafa SG, et al. (2018) Free energy and concentration of crystalline vacancies by molecular simulation Molecular Physics. 116: 3027-3041 |
| Moustafa SG, Schultz AJ, Zurek E, et al. (2017) Accurate and precise ab initio anharmonic free-energy calculations for metallic crystals: Application to hcp Fe at high temperature and pressure Physical Review B. 96 |
| Moustafa SG, Schultz AJ, Kofke DA. (2016) Harmonically assisted methods for computing the free energy of classical crystals by molecular simulation: A comparative study. Journal of Chemical Theory and Computation |
| Schultz AJ, Moustafa SG, Lin W, et al. (2016) Reformulation of Ensemble Averages via Coordinate Mapping. Journal of Chemical Theory and Computation |
| Moustafa SG, Schultz AJ, Kofke DA. (2015) Very fast averaging of thermal properties of crystals by molecular simulation. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 92: 043303 |
| Moustafa SG, Schultz AJ, Kofke DA. (2015) Effects of finite size and proton disorder on lattice-dynamics estimates of the free energy of clathrate hydrates Industrial and Engineering Chemistry Research. 54: 4487-4496 |
| Moustafa SG, Schultz AJ, Kofke DA. (2013) A comparative study of methods to compute the free energy of an ordered assembly by molecular simulation. The Journal of Chemical Physics. 139: 084105 |