J4 ›› 2014, Vol. 36 ›› Issue (12): 2242-2250.
王涛
收稿日期:
2014-09-10
修回日期:
2014-11-16
出版日期:
2014-12-25
发布日期:
2014-12-25
WANG Tao
Received:
2014-09-10
Revised:
2014-11-16
Online:
2014-12-25
Published:
2014-12-25
摘要:
分子动力学是高性能计算应用的重要领域,大量的高性能计算资源或机时被用于分子动力学模拟。描述了分子动力学的计算方法和特点,包括常用并行算法、性能改进方式等,介绍了常用的分子动力学大规模并行计算软件及其功能特性,最后展望了分子动力学模拟的发展与挑战。
王涛. 计算生物学中的高性能计算(Ⅰ)—分子动力学[J]. J4, 2014, 36(12): 2242-2250.
WANG Tao. High performance computing in
computational biology (Ⅰ) —molecular dynamics [J]. J4, 2014, 36(12): 2242-2250.
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