Introduction to Electronic Structure Methods

James Spencer (DeepMind, London)

Jul 14. 2022, 09:00 — 10:30

We present an overview of some of the widely used electronic structure methods, including density functional theory, Hartree-Fock, coupled cluster and quantum Monte Carlo, and connect these approaches with recent advances using machine learning. We will focus on the key concepts and techniques for one such method, variational Monte Carlo, where deep learning has had a considerable impact in the last few years.

Further Information
ESI Boltzmann Lecture Hall
Associated Event:
ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft" (Graduate School)
Christoph Dellago (U of Vienna)
Ulrike Diebold (TU Vienna)
Leticia Gonzalez Herrero (U of Vienna)
Jani Kotakoski (U of Vienna)
Christiane Losert-Valiente Kroon (U of Vienna)