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interatomic potentials 1molecular energy prediction 1quantum machine learning 1transfer learning 1variational quantum algorithms 1

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quant-ph2026

Quantum machine learning interatomic potential: Application of variational quantum algorithm

Kohei Numata, Wataru Mizukami, Kosuke Mitarai +2

The paper integrates a variational quantum circuit into a classical neural network for interatomic potentials, retraining the ANI model via quantum transfer learning and showing mo…