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......
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 ......