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Scalable algorithms for molecular dynamics simulations on commodity clusters

, , , , , , , , , and . SC'06: Proceedings of the 2006 ACM/IEEE Conference on Supercomputing, page 43--43. IEEE, (2006)

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Simple tests for density functional methods., , and . J. Comput. Chem., 18 (12): 1534-1545 (1997)Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy., , , , and . J. Comput. Chem., 23 (2): 214-221 (2002)Scalable algorithms for molecular dynamics simulations on commodity clusters, , , , , , , , , and . SC'06: Proceedings of the 2006 ACM/IEEE Conference on Supercomputing, page 43--43. IEEE, (2006)Superspreading driven by Marangoni flow., , , , , and . Advances in colloid and interface science, 96 (1-3): 325--38 (February 2002)Anton, a special-purpose machine for molecular dynamics simulation., , , , , , , , , and 17 other author(s). Commun. ACM, 51 (7): 91-97 (2008)Compare Conformer: a program for the rapid comparison of molecular conformers based on interatomic distances and torsion angles., and . J. Chem. Inf. Comput. Sci., 32 (3): 191-199 (1992)Theoretical study of intramolecular hydrogen bonding and molecular geometry of 2-trifluoromethylphenol., , , and . J. Comput. Chem., 17 (16): 1804-1819 (1996)Low-mode conformational search elucidated: Application to C39H80 and flexible docking of 9-deazaguanine inhibitors into PNP., and . J. Comput. Chem., 20 (15): 1671-1684 (1999)Superspreading driven by Marangoni flow, , , , , and . Advances in Colloid and Interface Science, 96 (1-3): 325--338 (Feb 25, 2002)On the Sign of Local Temperature in Molecules.. Entropy, 1 (1): 4-8 (1999)