Andrew J. Schultz, Ph.D.
Affiliations: | Chemical and Biological Engineering | State University of New York, Buffalo, Buffalo, NY, United States |
Area:
Molecular SimulationWebsite:
http://www.cbe.buffalo.edu/people/other/a_schultz.phpGoogle:
"Andrew Schultz"Mean distance: 10.21 | S | N | B | C | P |
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Publications
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| 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 |
| Schultz AJ, Kofke DA. (2020) Erratum: "Comprehensive high-precision high-accuracy equation of state and coexistence properties for classical Lennard-Jones crystals and low-temperature fluid phases" [J. Chem. Phys. 149, 204508 (2018)]. The Journal of Chemical Physics. 153: 059901 |
| Wheatley RJ, Schultz AJ, Do H, et al. (2020) Cluster integrals and virial coefficients for realistic molecular models. Physical Review. E. 101: 051301 |
| Purohit A, Schultz AJ, Kofke DA. (2020) Implementation of harmonically mapped averaging in LAMMPS, and effect of potential truncation on anharmonic properties. The Journal of Chemical Physics. 152: 014107 |
| Schultz AJ, Kofke DA. (2020) Identifying and estimating bias in overlap-sampling free-energy calculations Molecular Simulation. 1-11 |
| Messerly RA, Gokul N, Schultz AJ, et al. (2019) Molecular Calculation of the Critical Parameters of Classical Helium. Journal of Chemical and Engineering Data. 65 |
| Elliott JR, Schultz AJ, Kofke DA. (2019) Combined temperature and density series for fluid-phase properties. II. Lennard-Jones spheres. The Journal of Chemical Physics. 151: 204501 |
| Afzal MAF, Sonpal A, Haghighatlari M, et al. (2019) A deep neural network model for packing density predictions and its application in the study of 1.5 million organic molecules. Chemical Science. 10: 8374-8383 |
| Jain K, Schultz AJ, Errington JR. (2019) Construction of the interface potential from a series of canonical ensemble simulations. The Journal of Chemical Physics. 151: 044103 |
| Jain K, Schultz AJ, Errington JR. (2019) Application of the interface potential approach for studying wetting behavior within a molecular dynamics framework. The Journal of Chemical Physics. 150: 204118 |