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Quantum chemistry assisted by machine learning

期刊: CHEMICAL PHYSICS AND QUANTUM CHEMISTRY, 2020; 81 ()

In this chapter we illustrate in a tutorial way how machine learning can be used to assist quantum chemical research. Pitfalls of machine learning are......

Quantum protein folding

期刊: QUANTUM BOUNDARIES OF LIFE, 2020; 82 ()

To establish a fundamental framework for understanding biomolecules from the first principle of quantum mechanics, the manuscript reviews the work of ......

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