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置顶
什么是结构优化
密度泛函理论（DFT）是计算材料科学和化学中广泛使用的量子力学方法，用于研究材料的电子结构、能量、力以及各种物理化学性质。在DFT计算中，结构优化是一个基础且至关重要的步骤，它通过调整原子坐标，使体系达到能量最低的稳定状态，从而为后续的性质计算提供可靠的基础。本文华算科朱老师将从结构优化的基本概念、计算流程、常用工具、面临的挑战以及未来发展方向等方面，详细探讨DFT计算中结构优化的重要性。 ... -
What is m3u8?
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Study Note
Welcome to Hexo! This is your very first post. Check documentation for more info. If you get any problems when using Hexo, you can find the answer in troubleshooting or you can ask me on GitHub. Qu... -
你好，世界！
Welcome to Hexo! This is your very first post. Check documentation for more info. If you get any problems when using Hexo, you can find the answer in troubleshooting or you can ask me on GitHub. Qu...
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