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机译:动态重加权:在多个温度下通过仿真改进的动力学特性估计
California Institute of Quantitative Biosciences (QB3), University of California, Berkeley, 260J Stanley Hall, Berkeley, California 94720, USA;
IBM Almaden Research Center, San Jose, California 95120, USA;
DFG Research Center Matheon, FU Berlin, Arnimallee 6, 14195 Berlin, Germany;
DFG Research Center Matheon, FU Berlin, Arnimallee 6, 14195 Berlin, Germany|IWR, University of Heidelberg, INF 368, 69120 Heidelberg, Germany;
Department of Chemical Engineering, University of Virginia, Virginia 22904, USA;
Department of Chemistry, Stanford University, Stanford, California 94305, USA;
Brownian motion; molecular dynamics method; reaction kinetics theory; tempering;
机译:动态重加权:改进了在多个温度下进行仿真时对动力学特性的估计
机译:重加权整体动力学仿真中通用基础函数的构造:从多个短仿真轨迹中再现复杂系统中的平衡分布
机译:用于自由能计算的加速分子动力学模拟的改进重加权
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:Na-Ca铝硅酸盐液体和玻璃在高温和高压下的分子动力学模拟的热力学和传输性质。
机译:动态重加权:在多个温度下通过仿真改进的动力学特性估计
机译:动态重加权:在多个温度下通过仿真改进的动力学特性估计
机译:聚乙烯超高温热解得到的炭的形成动力学和热力学性质的分子动力学模拟