Accelerating Fermionic Molecular Dynamics
β Scribed by M.A. Clark; A.D. Kennedy
- Publisher
- Elsevier Science
- Year
- 2005
- Tongue
- English
- Weight
- 201 KB
- Volume
- 140
- Category
- Article
- ISSN
- 0920-5632
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π SIMILAR VOLUMES
Helium and Beryllium isotopes are studied in the Fermionic Molecular Dynamics model. No a priori assumptions are made with respect to cluster structure or single-particle energies. An effective interaction based on the Argonne V18 interaction is used for all nuclei. Short-range central and tensor co
## Abstract We describe a complete implementation of allβatom protein molecular dynamics running entirely on a graphics processing unit (GPU), including all standard force field terms, integration, constraints, and implicit solvent. We discuss the design of our algorithms and important optimization