DOE OSTI · 1244611
Ab Initio Interactive Molecular Dynamics on Graphical Processing Units (GPUs)
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Luehr, Nathan, Jin, Alex G. B., Martínez, Todd J.. 2015-10-13. Ab Initio Interactive Molecular Dynamics on Graphical Processing Units (GPUs). https://doi.org/10.1021/acs.jctc.5b00419
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