Computational Chemistry Benchmarks - Nvidia
Computational Chemistry Benchmarks - Nvidia
Computational Chemistry Benchmarks - Nvidia
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www.acellera.com<br />
NVT, NPT, PME, TCL, PLUMED, CAMSHIFT 1<br />
1 M. J. Harvey and G. De Fabritiis, An implementation of the smooth particle-mesh Ewald (PME) method on GPU hardware, J. Chem. Theory Comput., 5,<br />
2371–2377 (2009)<br />
2 For a list of selected references see http://www.acellera.com/acemd/publications
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