TY - RPRT TI - Ab Initio Interactive Molecular Dynamics on Graphical Processing Units (GPUs) AU - Luehr, Nathan AU - Jin, Alex G. B. AU - Martínez, Todd J. PY - 2015 DO - 10.1021/acs.jctc.5b00419 UR - https://www.osti.gov/biblio/1244611 ID - 1244611 ER -