目前,用计算机模拟实际生活的各种情形,包括在原子或分子水平上对陶瓷、合金、电子器件和药品等特殊材料进行设计。大功率计算机可模拟各单个原子的位置和运动,并可解释它们发生变化的情况,预测由其构成的材料的有关性质。这类技术终将有可能代替一些耗资大的预测性工作,这些工作目前还不得不在材料合成和测试实验室中进行。 At present, computers are used to simulate various situations in real life, including the design of special materials such as ceramics, alloys, electronic devices and pharmaceuticals at the atomic or molecular level. High-power computers can simulate the position and motion of individual atoms, explain their changes, and predict the properties of the material they comprise. Such technologies will eventually be able to replace some of the most costly and predictive work that has to be done in the Materials Synthesis and Testing Lab.