计算化学-绪论课件.pptVIP

计算化学 Computational Chemistry 计算化学发展史 A History of Computational Chemistry There were several papers detailing the use of computers in chemistry during the 1960s and 1970s, the first companies organized to address the new areas of chemical databases and molecular modeling were molecular design。 As the chart below demonstrates, the market grew and evolved continuously since this period . 化学是一门古老的学科，计算机是新时代的代表，把计算机运用到化学中去，解决化学问题，可以追溯到有史书记载的二十 世纪六十年代。 1958—1970 The first integrated circuit board is constructed by Jack Kilby at Texas Instruments Cyrus Levinthal, et. al. publish p