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)

An Eclipse-based environment for molecular simulation. - Henrique F. Bucher; Andrew J. Schultz; David A. Kofke (eTX, 2005)

Strain energy change due to an atomic defect in solder alloy lattice. - Cemal Basaran; Michael S. Sellers; David A. Kofke; Andrew Schultz 001 (SCSC, 2007)

Accelerating Molecular Dynamics Simulations with GPUs. - John Paul Walters; Vidyananth Balu; Vipin Chaudhary; David A. Kofke; Andrew Schultz 001 (PDCCS, 2008)

Mixed-precision models for calculation of high-order virial coefficients on GPUs. - Chao Feng; Andrew Schultz 001; Vipin Chaudhary; David A. Kofke (HiPC, 2014)

Quantum Virial Coefficients via Path Integral Monte Carlo with Semi-classical Beads. - Ramachandran Subramanian; Andrew J. Schultz; David A. Kofke (FOMMS, 2015)

Etomica: An object-oriented framework for molecular simulation. - Andrew J. Schultz; David A. Kofke (J. Comput. Chem., 2015)

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)