A Load-Balancing Force Decomposition Scheme for Parallel Simulation of Chemical Dynamics with Multiple Inter-atomic Force Models. - Yu Zhuang; R. Rajagopalan; William L. Hase; Upakarasamy Lourderaj (CSE, 2013)

The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory. - Upakarasamy Lourderaj; Rui Sun; Swapnil C. Kohale; George L. Barnes; Wibe A. de Jong; Theresa L. Windus; William L. Hase (Comput. Phys. Commun., 2014)