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Quantum chemistry assisted by machine learning

Dral, PO

Dral, PO (corresponding author), Xiamen Univ, Coll Chem & Chem Engn, Dept Chem, State Key Lab Phys Chem Solid Surfaces,Fujian Pro, Xiamen, Peoples R China.

CHEMICAL PHYSICS AND QUANTUM CHEMISTRY, 2020; 81 (): 291

Abstract

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......

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