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Quantum chemistry is simulating atomistic systems according to the laws of quantum mechanics, and such simulations are essential for our understanding of the wo

Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those

Quantum machine learning investigates how quantum computers can be used for data-driven prediction and decision making. The books summarises and conceptualises

Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically

This volume presents the current status of software development in the field of computational and theoretical chemistry and gives an overview of the emerging tr