GPU-accelerated large-scale quantum molecular dynamics simulation of 3-dimensional C60 polymers Export

@article{citeulike:6101014, abstract = {Polymerization of C60 molecular crystal under high pressure and high temperature is simulated by using linear scaling tight binding molecular dynamics (TBMD) with Graphic Processing Unit (GPU) as a computational accelerator for matrix-matrix multiplication. Two sets of tight binding parameters were tested.}, archivePrefix = {arXiv}, author = {Iitaka, Toshiaki}, citeulike-article-id = {6101014}, citeulike-linkout-0 = {http://arxiv.org/abs/0910.4497}, citeulike-linkout-1 = {http://arxiv.org/pdf/0910.4497}, day = {23}, eprint = {0910.4497}, keywords = {gpu, molecular\_dynamics}, month = {Oct}, posted-at = {2009-11-12 09:39:38}, priority = {2}, title = {GPU-accelerated large-scale quantum molecular dynamics simulation of 3-dimensional C60 polymers}, url = {http://arxiv.org/abs/0910.4497}, year = {2009} }

TY - JOUR ID - citeulike:6101014 L3 - citeulike-article-id:6101014 N2 - Polymerization of C60 molecular crystal under high pressure and high temperature is simulated by using linear scaling tight binding molecular dynamics (TBMD) with Graphic Processing Unit (GPU) as a computational accelerator for matrix-matrix multiplication. Two sets of tight binding parameters were tested. TI - GPU-accelerated large-scale quantum molecular dynamics simulation of 3-dimensional C60 polymers KW - gpu KW - molecular_dynamics AU - Iitaka, Toshiaki PY - 2009/Oct/23/ UR - http://arxiv.org/abs/0910.4497 ER -