Ab initio molecular dynamics simulation of liquids and solutions
- Michiel Sprik
- 1996
- Journal of Physics Condensed Matter
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.
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29 results for Michiel Sprik
Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient-corrected density functionals
- Michiel Sprik
- Jürg Hutter
- et al.
- 1996
- Journal of Chemical Physics
The torsional potential of perfluoro n-alkanes: A density functional study
- Ursula Röthlisberger
- Kari Laasonen
- et al.
- 1996
- Journal of Chemical Physics
A density-functional study of the intermolecular interactions of benzene
- Evert Jan Meijer
- Michiel Sprik
- 1996
- Journal of Chemical Physics
Ab initio molecular dynamics simulation of the solvation and transport of H3O+ and OH- ions in water
- Mark Tuckerman
- Kari Laasonen
- et al.
- 1995
- Journal of Physical Chemistry
Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water
- M. Tuckerman
- K. Laasonen
- et al.
- 1995
- The Journal of Chemical Physics
Influence of surface topology and electrostatic potential on water/electrode systems
- J. Ilja Siepmann
- Michiel Sprik
- 1995
- The Journal of Chemical Physics
Ab initio simulations of water and water ions
- M. Tuckerman
- K. Laasonen
- et al.
- 1994
- Journal of Physics: Condensed Matter
Structure of Hydrophilic Self-Assembled Monolayers: A Combined Scanning Tunneling Microscopy and Computer Simulation Study
- M. Sprik
- E. Delamarche
- et al.
- 1994
- Langmuir
Properties of supercritical water: an ab initio simulation
- E.S. Fois
- M. Sprik
- et al.
- 1994
- Chemical Physics Letters