David A. Kofke

Publication Activity (10 Years)

Years Active: 2004-2021
Publications (10 Years): 3

Top Topics

Quantum Mechanics

Monte Carlo Methods

Markovian Decision

Top Venues

J. Comput. Chem.

Comput. Phys. Commun.

Publications

Sabry G. Moustafa, Apoorva Purohit, Andrew J. Schultz, David A. Kofke
pyHMA: A VASP post-processor for precise measurement of crystalline anharmonic properties using harmonically mapped averaging. Comput. Phys. Commun. 258 (2021)
Ramachandran Subramanian, Andrew J. Schultz, David A. Kofke
Quantum Virial Coefficients via Path Integral Monte Carlo with Semi-classical Beads. FOMMS (2015)
Andrew J. Schultz, David A. Kofke
: An object-oriented framework for molecular simulation. J. Comput. Chem. 36 (8) (2015)
Chao Feng, Andrew Schultz, Vipin Chaudhary, David A. Kofke
Mixed-precision models for calculation of high-order virial coefficients on GPUs. HiPC (2014)
John Paul Walters, Vidyananth Balu, Vipin Chaudhary, David A. Kofke, Andrew Schultz
Accelerating Molecular Dynamics Simulations with GPUs. PDCCS (2008)
Cemal Basaran, Michael Sellers, David A. Kofke, Andrew Schultz
Strain energy change due to an atomic defect in solder alloy lattice. SCSC (2007)
Henrique F. Bucher, Andrew J. Schultz, David A. Kofke
An Eclipse-based environment for molecular simulation. eTX (2005)
Nandou Lu, David A. Kofke, Thomas B. Woolf
Improving the efficiency and reliability of free energy perturbation calculations using overlap sampling methods. J. Comput. Chem. 25 (1) (2004)