David A. Kofke

Affiliations:

Chemical and Biological Engineering

State University of New York, Buffalo, Buffalo, NY, United States

Area:

Materials Science Engineering, Chemical Engineering, Condensed Matter Physics

Parents

Eduardo D. Glandt	grad student	1988	Penn
(Theoretical and Computer Simulation Studies of Mixtures of Very Many Components)

Children

Rupal Agrawal	grad student		SUNY Buffalo
Hung-chang Chiu	grad student		SUNY Buffalo
Anjali Khare	grad student		SUNY Buffalo
Manoj Mehta	grad student		SUNY Buffalo
Sabry G. Moustafa	grad student		SUNY Buffalo
Ramachandran Subramanian	grad student		SUNY Buffalo
Durgesh S. Vaidya	grad student		SUNY Buffalo
Donald P. Visco	grad student		SUNY Buffalo
C. Daniel Barnes	grad student	2001	SUNY Buffalo
Nandou Lu	grad student	2002	SUNY Buffalo
Scott J. Wierzchowski	grad student	2003	SUNY Buffalo
Jhumpa Adhikari	grad student	2004	SUNY Buffalo
Sang K. Kwak	grad student	2005	SUNY Buffalo
Jayant K. Singh	grad student	2005	SUNY Buffalo
Di Wu	grad student	2005	SUNY Buffalo
Michael S. Sellers	grad student	2010	SUNY Buffalo
Tai B. Tan	grad student	2011	SUNY Buffalo
Hye Min Kim	grad student	2012	SUNY Buffalo
Katherine R. Shaul	grad student	2012	SUNY Buffalo
Jung H. Yang	grad student	2015	SUNY Buffalo (Chemistry Tree)
Suman Samantray	grad student	2013-2015	SUNY Buffalo (Chemistry Tree)

Collaborators

BETA: Related publications

Publications

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Bansal A, Schultz AJ, Kofke DA. (2021) Evaluation of Osmotic Virial Coefficients via Restricted Gibbs Ensemble Simulations, with Support from Gas-Phase Mixture Coefficients. The Journal of Physical Chemistry. B
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
Trokhymchuk A, Schultz AJ, Kofke DA. (2019) Alternative ensemble averages in molecular dynamics simulation of hard spheres Molecular Physics. 117: 3734-3753
Schultz AJ, Kofke DA. (2019) Virial Coefficients of Helium-4 from Ab Initio-Based Molecular Models Journal of Chemical & Engineering Data. 64: 3742-3754

David A. Kofke

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