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Na-Montmorillonite Hydrates under Basin Conditions: Hybrid Monte Carlo and Molecular Dynamics Simulations

✍ Scribed by Odriozola, G.; Guevara-Rodríguez, F. de J.

Book ID
126002598
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
207 KB
Volume
20
Category
Article
ISSN
0743-7463

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📜 SIMILAR VOLUMES

Hybrid Monte Carlo simulations theory an
Hybrid Monte Carlo simulations theory and initial comparison with molecular dynamics
✍ A. Brass; B. J. Pendleton; Y. Chen; B. Robson 📂 Article 📅 1993 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 779 KB

## Abstract A formal partially dynamical approach to ergodic sampling, hybrid Monte Carlo, has been adapted for the first time from its proven application in quantum chromodynamics to realistic molecular systems. A series of simulations of pancreatic trypsin inhibitor were run using temperature‐res