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
Publications
This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
Date
Featured collections
Popular topics
6 results for Christopher J. Mundy
Ab initio molecular dynamics simulations of water under static and shock compressed conditions
- Nir Goldman
- Laurence E. Fried
- et al.
- 2007
- SCCM 2007
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
Ab initio simulation of the equation of state and kinetics of shocked water
- Nir Goldman
- Evan J. Reed
- et al.
- 2009
- Journal of Chemical Physics
Ultrafast transformation of graphite to diamond: An ab initio study of graphite under shock compression
- Christopher J. Mundy
- Alessandro Curioni
- et al.
- 2008
- Journal of Chemical Physics