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机译:从头算分子动力学来看,高温和高压下立方CaSiO_3钙钛矿的动态稳定
Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455, USA,Key Laboratory of Computational Geodynamics, University of Chinese Academy of Sciences, Beijing 100049, China;
Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455, USA;
Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455, USA,Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, USA;
机译:地球下地幔P-T条件下CaSiO_3钙钛矿的从头算分子动力学研究
机译:AB Initio Cubic Casio_3 Perovskite的Anharmonic热力学性质
机译:CaSiO3钙钛矿在高压和高温下的相稳定性:从头算分子动力学的见解
机译:AB Initio分子动力学模拟高温对材料性质的厌氧作用
机译:一,氢键体系中电子,振动,温度和同位素效应的研究。二。糖尿病对量子波包从头算分子动力学的扩展。
机译:从头算分子动力学:使用高压对晶体GeSb2Te4的无序控制(Adv。Sci。8/2015)
机译:立方相中有机卤化物钙钛矿中甲基铵分子的旋转机理:AB初始分子动力学研究