【摘 要】
：
Theoretical simulations of the dynamics of condensed phase molecular systems are an extremely active area of research nowadays.While classical molecular dynamics simulations are extremely wide spread,
【机 构】
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College of Chemistry and Molecular Engineering, Peking University, Beijing 100871
【出 处】
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International Conference on Theoretical and High Performance
论文部分内容阅读
Theoretical simulations of the dynamics of condensed phase molecular systems are an extremely active area of research nowadays.While classical molecular dynamics simulations are extremely wide spread, it still presents a big challenge to develop theoretical approaches for large molecular systems where quantum dynamics effects are important.
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