a comprehensive and scalable open-source solution for large scale molecular simulations

M. Valiev, E. J. Bylaska, N. Govind, K. Kowalski, T. P. Straatsma, H. J. Van Dam, D. Wang, J. Nieplocha, E. Apra, T. L. Windus, et al. Nwchem: a comprehensive and scalable open-source solution for large scale molecular simulations. Computer Physics Communications, 181(9):1477--1489, 2010.

2010