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Thomas Gasevic1, Christoph Plett1,2, Lukas Wittmann1
1Mulliken Center for Theoretical Chemistry, Clausius Institut für Physikalische und Theoretische Chemie, Rheinische Friedrich-Wilhelms-Universität Bonn, Bonn, Germany.
本研究介绍了一种多层次的计算工作流程,用于分析主机-客机系统动力学. 该方法准确地预测了超分子过程的结合自由能量和动力障碍.
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