Computer Physics

Molecular dynamics (MD) simulations were performed to study the patterns of hydration of cavities in the interior of staphylococcal nuclease (SN) and of the variants V66E and V66K. In these variants the polar groups of Glu and Lys are internal, and they affect the polarity ...

ELSEVIER Computer Physics Communications 87 (1995) 212224 Computer Physics Communications OOPS" an objectoriented particle simulation class library for distributed architectures John VW Reynders, David W. Forslund, Paul J. Hinker, Marydell Tholburn, David G. Kilman, ...

... The B class supplies the user with a limited amount of CPU time and disk quota, considering the user request. ... Astrocomp will be added to the set of the other grid portals in the next future such as Hotpage [13] or Genius [7] and [14]. ...

Chaste ('Cancer, heart and soft-tissue environment') is a software library and a set of test suites for computational simulations in the domain of biology. Current functionality has arisen from modelling in the fields of cancer, cardiac physiology and soft-tissue mechanics. It is released under the LGPL 2.1 licence. Chaste has been developed using agile programming methods. The project began in 2005 when it was reasoned that the modelling of a variety of physiological phenomena required both a generic mathematical modelling ...

Grid computing is distributed computing performed transparently across multiple administrative domains. Grid middleware, which is meant to enable access to grid resources, is currently widely seen as being too heavyweight and, in consequence, unwieldy for general scientific use. Its heavyweight nature, especially on the clientside, has severely restricted the uptake of grid technology by computational scientists. In this paper, we describe the Application Hosting Environment (AHE) which we have developed to address some of these problems. The AHE is a lightweight, easily deployable environment designed to allow the scientist to quickly and easily run legacy applications on distributed grid resources. It provides a higher level abstraction of a grid than is offered by existing grid middleware schemes such as the Globus Toolkit. As a result the computational scientist does not need to know the details of any particular underlying grid middleware and is isolated from any changes to it ...

... A numerical code to evaluate the half-lives for alpha decay, cluster ... Author Keywords: Inertia coefficient; Gamow penetrability; Half-life calculation; Alpha decay; Cluster radioactivity ... 246252 Computer Physics Communications PRESCOLD: Calculation of the halflife for alpha ...

... In order to facilitate its implementation in a standard quantum program package, theASEP is represented be means of a set of point charges. The method ... interaction energies. The ASEP is then approximated by a set of point charges. ...

... In order to facilitate its implementation in a standard quantum program package, theASEP is represented be means of a set of point charges. The method ... interaction energies. The ASEP is then approximated by a set of point charges. ...

... In order to facilitate its implementation in a standard quantum program package, theASEP is represented be means of a set of point charges. The method ... interaction energies. The ASEP is then approximated by a set of point charges. ...

... Permissions & Reprints. Wigner approach to the semiclassical dynamics of a quantum many-body system: the dynamic scattering function of 4 He. Giovanni Ciccotti E-mail The Corresponding Author , Carlo Pierleoni, Fabrizio Capuani and Vladimir S. Filinov. ...