David A. Kofke

According to our database, David A. Kofke authored at least 8 papers between 2004 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2021

pyHMA: A VASP post-processor for precise measurement of crystalline anharmonic properties using harmonically mapped averaging.

Sabry G. Moustafa, Apoorva Purohit, Andrew J. Schultz, David A. Kofke

Comput. Phys. Commun., 2021

2015

<i>Etomica</i>: An object-oriented framework for molecular simulation.

Andrew J. Schultz, David A. Kofke

J. Comput. Chem., 2015

Quantum Virial Coefficients via Path Integral Monte Carlo with Semi-classical Beads.

Ramachandran Subramanian, Andrew J. Schultz, David A. Kofke

Proceedings of the Molecular Modeling and the Materials Genome: Foundations of Molecular Modeling and Simulation 2015, 2015

2014

Mixed-precision models for calculation of high-order virial coefficients on GPUs.

Chao Feng, Andrew Schultz, Vipin Chaudhary, David A. Kofke

Proceedings of the 21st International Conference on High Performance Computing, 2014

2008

Accelerating Molecular Dynamics Simulations with GPUs.

John Paul Walters, Vidyananth Balu, Vipin Chaudhary, David A. Kofke, Andrew Schultz

Proceedings of the ISCA 21st International Conference on Parallel and Distributed Computing and Communication Systems, 2008

2007

Strain energy change due to an atomic defect in solder alloy lattice.

Cemal Basaran, Michael S. Sellers, David A. Kofke, Andrew Schultz

Proceedings of the 2007 Summer Computer Simulation Conference, 2007

2005

An Eclipse-based environment for molecular simulation.

Henrique F. Bucher, Andrew J. Schultz, David A. Kofke

Proceedings of the 2005 OOPSLA workshop on Eclipse Technology eXchange, 2005

2004

Improving the efficiency and reliability of free energy perturbation calculations using overlap sampling methods.

Nandou Lu, David A. Kofke, Thomas B. Woolf

J. Comput. Chem., 2004