GPU acceleration of cutoff pair potentials for molecular modeling applications

Christopher I. Rodrigues, David J. Hardy, John E. Stone, Klaus Schulten, Wen-Mei W. Hwu
2008 Proceedings of the 2008 conference on Computing frontiers - CF '08  
Essential to molecular modeling applications -E.g., van der Waals, electrostatic potential -Often the most costly part of computation
doi:10.1145/1366230.1366277 dblp:conf/cf/RodriguesHSSH08 fatcat:vkekowxtzvevtp2dr2w4e5ltve