Correcting Differences with Machine Learning
R. Ramakrishnan, P. O. Dral, M. Rupp, O. A. von Lilienfeld, Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach. J. Chem. Theory Comput. 2015, 11, 2087–2096.
AI-enhanced computational chemistry
R. Ramakrishnan, P. O. Dral, M. Rupp, O. A. von Lilienfeld, Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach. J. Chem. Theory Comput. 2015, 11, 2087–2096.
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