公开问题
Sampling a transition that happens once in a billion steps
问题维基
提问的人可以创建维基,并指定维护者,把共同的进展整理在这里。
发布于 2026-08-21最近更新 2026-08-21328 次浏览
Direct simulation will not reach it, and the usual enhanced-sampling machinery wants a reaction coordinate I do not have — the transition is collective and every one-dimensional coordinate I have tried gives a barrier in the wrong place.
I am aware of the methods that claim not to need one. My experience is that they need one implicitly, in the choice of the basis, and I would like to hear from somebody who has made one of them work on a system where the coordinate genuinely was not known in advance.
提问者 · 2026-08-21Yuki Tanabe
好问题,从一场讨论开始
写下一种思路、一篇有用的文献,或者一个阶段性结果。没走通的路也值得写——它省下的是别人的时间。
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