共 50 条
- [41] Large-scale parallel simulations in computational electromagnetics COMPUTATIONAL FLUID DYNAMICS 2000, 2001, : 411 - 416
- [43] Uncovering the quantum mechanical origins of enzymatic catalysis with systematic QM/MM methods and accelerated, large-scale electronic structure ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 255
- [44] Adaptive, multilevel QM/MM simulations employing an accelerating interpolant of large and diverse chemical systems ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 244
- [46] Pushing the frontiers of QM/MM methods for studies of energetics and dynamics in large systems. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2001, 222 : U384 - U384
- [48] Three-state conical intersection optimization methods: development and implementation at QM/MM level Theoretical Chemistry Accounts, 2017, 136
- [49] Drastic Compensation of Electronic and Solvation Effects on ATP Hydrolysis Revealed through Large-Scale QM/MM Simulations Combined with a Theory of Solutions JOURNAL OF PHYSICAL CHEMISTRY B, 2017, 121 (10): : 2279 - 2287