Structural properties of liquid N-methylacetamide via ab initio, path integral, and classical molecular dynamics
- T.W. Whitfield
- J. Crain
- et al.
- 2006
- Journal of Chemical Physics
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
127 results at Journal of Chemical Physics
Is Poisson-Boltzmann theory insufficient for protein folding simulations?
- Thu Zar Lwin
- Ruhong Zhou
- et al.
- 2006
- Journal of Chemical Physics
Characterization of the TIP4P-Ew water model: Vapor pressure and boiling point
- Hans W. Horn
- William C. Swope
- et al.
- 2005
- Journal of Chemical Physics
Molecular dynamics investigation of dynamical properties of phosphatidylethanolamine lipid bilayers
- Michael C. Pitman
- Frank Suits
- et al.
- 2005
- Journal of Chemical Physics
Molecular dynamics investigation of the structural properties of phosphatidylethanolamine lipid bilayers
- Frank Suits
- Michael C. Pitman
- et al.
- 2005
- Journal of Chemical Physics
Segregation in aqueous methanol enhanced by cooling and compression
- L. Dougan
- R. Hargreaves
- et al.
- 2005
- Journal of Chemical Physics
Calculation of nonadiabatic couplings in density-functional theory
- Salomon R. Billeter
- Alessandro Curioni
- 2004
- Journal of Chemical Physics
Long range interactions on wires: A reciprocal space based formalism
- Peter Mináry
- Joseph A. Morrone
- et al.
- 2004
- Journal of Chemical Physics
Methanol-water solutions: A bi-percolating liquid mixture
- L. Dougan
- S.P. Bates
- et al.
- 2004
- Journal of Chemical Physics
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
- Hans W. Horn
- William C. Swope
- et al.
- 2004
- Journal of Chemical Physics