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A. K. Dahaghi

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Open access Jul 2026

Molecular physics-informed neural network (mPINN) for solving the molecular dynamics equation of motion with energy conservation

The results demonstrate that the mPINN architecture functions as a reliable, physics-constrained ML framework capable of delivering high-fidelity trajectory predictions for complex multi-body molecular systems.

T. Muther, V. Pham, A. K. Dahaghi · 0 citations