Temperature-dependent water structure: Ab initio and empirical model predictions
- Yves A. Mantz
- Bin Chen
- et al.
- 2005
- Chemical Physics Letters
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90 results for Glenn J. Martyna
Long range interactions on wires: A reciprocal space based formalism
- Peter Mináry
- Joseph A. Morrone
- et al.
- 2004
- Journal of Chemical Physics
Scalable fine-grained parallelization of plane-wave-based ab initio molecular dynamics for large supercomputers
- Ramkumar V. Vadali
- Yan Shi
- et al.
- 2004
- Journal of Computational Chemistry
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
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
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