A generalization of the previously proposed non-iterative matrix method (NIMM) for constraint molecular dynamics simulations is presented. The resultant generalized version of NIMM (gNIMM) makes possible the constraint force calculation with exactly the same procedure (subroutine) for various "Verle
✦ LIBER ✦
A generalized reaction field method for molecular dynamics simulations
✍ Scribed by Tironi, Ilario G.; Sperb, René; Smith, Paul E.; van Gunsteren, Wilfred F.
- Book ID
- 120166619
- Publisher
- American Institute of Physics
- Year
- 1995
- Tongue
- English
- Weight
- 523 KB
- Volume
- 102
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.469273
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
A Generalized Non-iterative Matrix Metho
✍
Makoto Yoneya
📂
Article
📅
2001
🏛
Elsevier Science
🌐
English
⚖ 87 KB
Generalized-ensemble algorithms for mole
✍
Itoh, Satoru G.; Okumura, Hisashi; Okamoto, Yuko
📂
Article
📅
2007
🏛
Taylor and Francis Group
🌐
English
⚖ 949 KB
A space–time multilevel method for molec
✍
Haim Waisman; Jacob Fish
📂
Article
📅
2006
🏛
Elsevier Science
🌐
English
⚖ 586 KB
We present a novel multiscale approach for molecular dynamics simulations. It is aimed at bridging discrete scales with either coarse grained discrete or continuum scales. The method consists of the waveform relaxation scheme aimed at capturing the high frequency response of atomistic vibrations and
GEM*: A Molecular Electronic Density-Bas
✍
Duke, Robert E.; Starovoytov, Oleg N.; Piquemal, Jean-Philip; Cisneros, G. André
📂
Article
📅
2014
🏛
American Chemical Society
🌐
English
⚖ 649 KB
A molecular dynamics method for simulati
✍
Nosé, Shūichi
📂
Article
📅
1984
🏛
Taylor and Francis Group
🌐
English
⚖ 600 KB
A molecular dynamics method for simulati
✍
NOSÉ, SH[Ubar]ICHI
📂
Article
📅
2002
🏛
Taylor and Francis Group
🌐
English
⚖ 557 KB