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[1]碳纳米管限域催化效应合成氨反应第一性原理高性能分子动力学模拟,进行,
[2]低标度第一性原理材料模拟高性能计算软件开发,进行,
[3]二维材料范德瓦尔斯异质结中激子的调控及其光催化应用,进行,
[4]基于高通量低标度第一性原理激发态高性能并行计算和机器学习的生物大分子光谱模拟软件开发,进行,
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胡伟
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