92 search results - page 2 / 19 » Constrained Molecular Dynamics as a Search and Optimization ... |
ICA3PP
2005
Springer
13 years 11 months ago
2005
Springer
In the present work we describe architectural concepts of the distributed molecular simulation package GridMD. The main purpose of this work is to underline the construction patter...
CPHYSICS
2008
13 years 5 months ago
2008
A scalable parallel algorithm has been designed to study long-time dynamics of many-atom systems based on the nudged elastic band method, which performs mutually constrained molec...
CEC
2008
IEEE
13 years 12 months ago
2008
IEEE
— In this paper, we propose a novel approach to solve constrained optimization problems based on particle swarm optimization (PSO). First, an empirical comparison of the most pop...
ICDE
2010
IEEE
14 years 11 days ago
2010
IEEE
Abstract— Developing a full-fledged cost-based XQuery optimizer is a fairly complex task. Nowadays, there is little knowledge concerning suitable cost formulae and optimization ...
PPOPP
2006
ACM
13 years 11 months ago
2006
ACM
Large-scale simulations and computational modeling using molecular dynamics (MD) continues to make significant impacts in the field of biology. It is well known that simulations...