## Abstract We describe the application of a special purpose board for molecular dynamics simulations, named MDGRAPEβ3, to the problem of simulating periodic bioβmolecular systems. MDGRAPEβ3 is the latest board in a series of hardware accelerators designed to calculate the nonbonding longβrange int
A molecular dynamics study of diamond exposed to tritium bombardment for fusion applications
β Scribed by A.R. Dunn; D.M. Duffy; A.M. Stoneham
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 685 KB
- Volume
- 269
- Category
- Article
- ISSN
- 0168-583X
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a βFull Textβ option. The original article is trackable v
Micrometer sized crystallites of energetic materials are subjected to shock compression produced by absorption of picosecond laser pulses in an embedding polymer matrix. Picosecond coherent Raman spectroscopy is used to determine the temperature and pressure of the polymer and the dynamical response
In the application of long range corrections to calculation of potential energy and pressure utilizing molecular dynamics simulation, it is common to use a longer distance of cut-off to obtain more accurate results. The radial distribution function is assumed to be equal to unity in conventional ter
Molecular dynamics simulations have been performed to obtain free energy profiles, for the association of Cs+ to 18-crown-6 in water. This is the first study of cation-crown ether interactions in aqueous solutions that explicitly includes the counter ion. This work also provides the first quantitat