A Kernel-based Machine Learning Approach to Computing Quasiparticle Energies within Many-Body Green's Functions Theory

• Main Authors: Tirimbó, Gianluca, Çaylak, Onur, Baumeier, Björn
• Format: Journal Article
• Language: English
• Published: 03.12.2020
• Subjects: Physics - Chemical Physics; Physics - Computational Physics

We present a Kernel Ridge Regression (KRR) based supervised learning method combined with Genetic Algorithms (GAs) for the calculation of quasiparticle energies within Many-Body Green's Functions Theory. These energies representing electronic excitations of a material are solutions to a set of...