(6.2.2)--17卡普拉斯--中英文讲稿.pdfVIP

卡普拉斯—计算化学 （Martin KarplusComputational Chemistry ） When you recall your chemistry class, teachers often like to use these sticks and balls to show you the structure of a chemical. But, nowadays, we more like to use computer to display these models. （当你回忆起你的化学课时，老师们经常喜欢用这些棍子和球向你展示一种化学 物质的结构。 但是，现在，我们更喜欢用电脑来显示这些模型。） • In addition, the understanding of detailed chemical process enabled chemists to reveal the mysterious world of chemistry. But, because chemical reactions are so rapid that electrons move rapidly between nuclei, traditional experiment process can’t snap-shot every reaction step that happens so fast. So, we need reveal the mysterious world of chemistry with the help of computer. • （•此外，对详细化学过程的理解使化学家能够揭示化学的神秘世界。但是，由 于化学反应太快，电子在原子核之间快速移动，传统的实验过程不能快速地完成 每一个反应步骤。所以，我们需要借助计算机来揭示化学的神秘世界。） 1 • Martin Karplus, Michael Levitt and Arieh Warshel was awarded jointly to for the development of multiscale models for complex chemical systems.“ for the Nobel Prize in Chemistry 2013 • （Martin Karplus 、Michael Levitt 和Arieh Warshel 因为 “为复杂化学系统开发多 尺度模型”，从而被联合授予2013 年诺贝尔化学奖） • Their work helps us improve the processes of catalysts, drugs and even solar panels. Now, chemists all over the world design experiments on computers every day. • （他们的工作有助于我们改进催化剂、药物甚至太阳能电池板的工艺。现在，世 界各地的化学家每天都在计算机上设计实验。） • The world around us is made up of atoms that are joined together to form molecules. • During chemical reactions, atoms change places and new molecules are formed. To 2 accurately predict the course of the reactions at the sites where the reaction occurs, advanced calculations based on quantum mechanics are required. • For other parts of the molecules, it is possible to use