Stacked Generalization Approach to Improve Prediction of Molecular Atomization Energies

Ruobing Wang

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arXiv · 1805.09507

Stacked Generalization Approach to Improve Prediction of Molecular Atomization Energies

Ruobing Wang

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Abstract

Machine learning holds the promise of learning the energy functional via examples, bypassing the need to solve complicated quantum-chemical equations and realizing efficient computing of molecular electronic properties.

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Ruobing Wang. 2018-05-24. Stacked Generalization Approach to Improve Prediction of Molecular Atomization Energies. https://arxiv.org/abs/1805.09507

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