Industrial Applications of Molecular Simulations

ISBN: 9781439861011 出版年：2016 页码：413 CRC Press

The field of quantum and molecular simulations has experienced strong growth since the time of the early software packages. A recent study, showed a large increase in the number of people publishing papers based on ab initio methods from about 3,000 in 1991 to roughly 20,000 in 2009, with particularly strong growth in East Asia. Looking to the futu