ReaxFF parameter optimization for β-Ga₂O₃ MD simulations using Gaussian process Bayesian optimization

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David Sirota

But those tricks, I believe, are quite clear to everybody that has worked extensively with automatic programming in the latest months. To think in terms of “what a human would need” is often the best bet, plus a few LLMs specific things, like the forgetting issue after context compaction, the continuous ability to verify it is on the right track, and so forth.

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