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

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shadcn/ui over MUI

If the A* calculation for a shortcut (in Step 3) finds it's now impassable, or if its actual detailed cost is significantly different (e.g., 20%) from the pre-calculated shortcut value:

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Rebecca Morelle, Alison Francis and Greg BrosnanBBC Science

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Python to TypeScript