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发表于 2025-3-28 17:33:42
Some (Important?) Unsolved Mathematical Problems in Molecular Simulation related topics. Many such questions exist and the particular choice made here aims to emphasize some specific questions that, again in the author’s opinion, would have important and immediate consequences on the current practice of molecular simulation.
火花
发表于 2025-3-28 22:01:35
The Computational Complexity of Density Functional Theorysal functional must be approximated resulting in a ‘semi’-ab initio approach. The search for improved functionals has resulted in hundreds of functionals and remains an active research area. This chapter is concerned with understanding fundamental limitations of any algorithmic approach to approxima
假
发表于 2025-3-28 23:40:23
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通情达理
发表于 2025-3-29 04:46:09
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懒鬼才会衰弱
发表于 2025-3-29 09:22:26
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弯腰
发表于 2025-3-29 12:55:01
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stress-test
发表于 2025-3-29 16:35:44
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Additive
发表于 2025-3-29 20:41:02
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ALTER
发表于 2025-3-30 00:16:45
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infinite
发表于 2025-3-30 05:51:35
10楼