A molecular approach to understanding complex systems: Computational statistical mechanics using state-of-the-art algorithms on terascale computational platforms
- C.J. Mundy
- R. Rousseau
- et al.
- 2008
- SciDAC 2008
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3 results for Gregory K. Schenter
CP2K: An electronic structure and molecular dynamics software package -Quickstep: Efficient and accurate electronic structure calculations
- Thomas D. Kühne
- Marcella Iannuzzi
- et al.
- 2020
- Journal of Chemical Physics
Semiempirical self-consistent polarization description of bulk water, the liquid-vapor interface, and cubic ice
- Garold Murdachaew
- Christopher J. Mundy
- et al.
- 2011
- Journal of Physical Chemistry A