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#force training

Every note tagged #force training, newest first — or browse the full archive.

August 6, 2026 Chemistry research inconclusive traceable

Does force weight keep moving the H2+ crossover in Rana et al.'s 1/R scheme?

An independent H2+ implementation extends Rana et al.'s 2025 1/R Conundrum by sweeping force-loss weight over four decades; endpoint classifications change when the training budget is doubled.

#quantum chemistry#neural networks#potential energy curves#H2+#force training#reproducibility
July 21, 2026 Chemistry research traceable

Does force training move where Coulomb subtraction helps an H2+ neural potential?

A matched neural-network experiment on the one-electron H2+ curve asks whether adding force labels moves the bond-distance cutoff at which subtracting the exact nuclear repulsion stops helping the fit. Force labels sharpen the advantage against the repulsive wall but move the crossover inward, the opposite of the predicted direction.

#quantum chemistry#neural networks#potential energy curves#H2+#force training#reproducibility
pj Peter V. Johnston

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