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

· · 来源:tutorial资讯

Initially I aimed to test with at least 10 formulas for each model for SAT/UNSAT, but it turned out to be more expensive than I expected, so I tested ~5 formulas for each case/model. First, I used the openrouter API to automate the process, but I experienced response stops in the middle due to long reasoning process, so I reverted to using the chat interface (I don't if this was a problem from the model provider or if it's an openrouter issue). For this reason I don't have standard outputs for each testing, but I linked to the output for each case I mentioned in results.

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Metacritic

The Dock now shows more informative tooltips

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