supported by Ministry of Finance(ZDYZ2008-2);the National Key Science and Technology Project(2008ZX05014-003-006HZ);the Knowledge Innovation Project of Chinese Academy of Sciences (KGCX2-YW-124);the National Natural Science Foundation of China (20821092)
Discrete computer simulations are quite helpful in understanding dynamic structures in complex systems.Recently,using the Mole-8.5 supercomputer and molecular dynamics simulations as a"computational microscope",we sim...
supported by the National Natural Science Foundation of China(Grant No.20821092);National Basic Research Program of China(Grant No.2009CB219906);Chinese Academy of Sciences(Grant No.KJCX2-YW-222)
Pseudo-particle modeling (PPM), a molecular modeling method which combines time-driven algorithms and hard molecule modeling, was originally developed for simulating gas in complex multiphase systems (Ge & Li, 200...