【第一期】计算化学效率翻倍！CHEMSMART入门教程 ：量子化学计算自动化工具包全介绍
41:04
bilibiliZhangLabCUHK
【第一期】计算化学效率翻倍！CHEMSMART入门教程 ：量子化学计算自动化工具包全介绍
本视频为 CHEMSMART 系列教程第一期，将系统介绍我们团队自主研发的量子化学模拟自动化工具包 ——CHEMSMART，一款专为简化、标准化计算化学工作流打造的专业工具。 CHEMSMART 可实现量子化学模拟全关键步骤的自动化处理，完整覆盖从结构准备、输入文件生成 ...
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