W
Wei Wang
Researcher at University of Illinois at Urbana–Champaign
Publications - 4
Citations - 14710
Wei Wang is an academic researcher from University of Illinois at Urbana–Champaign. The author has contributed to research in topics: Iterative method & Preconditioner. The author has an hindex of 4, co-authored 4 publications receiving 13352 citations.
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Journal ArticleDOI
Scalable molecular dynamics with NAMD
James C. Phillips,Rosemary Braun,Wei Wang,James C. Gumbart,Emad Tajkhorshid,Elizabeth Villa,Christophe Chipot,Robert D. Skeel,Laxmikant V. Kale,Klaus Schulten +9 more
TL;DR: NAMD as discussed by the authors is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems that scales to hundreds of processors on high-end parallel platforms, as well as tens of processors in low-cost commodity clusters, and also runs on individual desktop and laptop computers.
Journal ArticleDOI
Analysis of a few numerical integration methods for the Langevin equation
Wei Wang,Robert D. Skeel +1 more
TL;DR: In this paper, the position recurrence relation of several existing numerical integrators for the Langevin equation and use the modified equation approach to analyse their accuracy was studied. But their analysis was restricted to a restricted class of velocity definitions, those that lead to explicit starting procedures.
Journal ArticleDOI
Fast evaluation of polarizable forces.
Wei Wang,Robert D. Skeel +1 more
TL;DR: Methods that reduce the cost of computing the electrostatic energy and force of a polarizable model from about 7.5 times thecost of computing those of a nonpolarizable model to less than twice the cost are introduced.
Fast polarizable force field computation in biomolecular simulations
Robert D. Skeel,Wei Wang +1 more
TL;DR: A non-iterative method has been developed based on an approximation to the electrostatic potential energy and has been efficiently implemented that preserves the symplecticness of the integrator and is suitable for long time simulations.