Isomerization of a Peptidic Fragment Studied Theoretically in Vacuum and in Explicit Water Solvent at Finite Temperature
- Yves A. Mantz
- Helene Gerard
- et al.
- 2004
- JACS
Publications
Date
Featured collections
Popular topics
90 results for Glenn J. Martyna
Efficient techniques for the computer simulation of magnetic recording in complex layered materials
- Dennis Newns
- Wilm Donath
- et al.
- 2004
- Journal of Applied Physics
Novel efficient techniques for computer simulation of magnetic recording
- D.M. Newns
- W.E. Donath
- et al.
- 2004
- IBM J. Res. Dev
A novel, scalable algorithm for magnetic recording simulation
- D.M. Newns
- W.E. Donath
- et al.
- 2003
- ISPE CE 2003
Algorithms and novel applications based on the isokinetic ensemble. II. Ab initio molecular dynamics
- Peter Minary
- Glenn J. Martyna
- et al.
- 2003
- Journal of Chemical Physics
Algorithms and novel applications based on the isokinetic ensemble. I. Biophysical and path integral molecular dynamics
- Peter Minary
- Glenn J. Martyna
- et al.
- 2003
- Journal of Chemical Physics
Symplectic quaternion scheme for biophysical molecular dynamics
- T.F. Miller III
- M. Eleftheriou
- et al.
- 2002
- Journal of Chemical Physics
Performance of a novel algorithm for perpendicular magnetic recording simulation
- D.M. Newns
- W.E. Donath
- et al.
- 2002
- IPDPS 2002
A new reciprocal space based treatment of long range interactions on surfaces
- Peter Mináry
- Mark E. Tuckerman
- et al.
- 2002
- Journal of Chemical Physics
Blue Gene: A vision for protein science using a petaflop supercomputer
- F.E. Allen
- G. Almasi
- et al.
- 2001
- IBM Systems Journal