Quantum Chemistry Calculation with FHI-aims code on AWS
This article was contributed by Dr. Fabio Baruffa, Sr. HPC and QC Solutions Architect at AWS, and Dr. Jesús Pérez Ríos, Group Leader at the Fritz Haber Institute, Max-Planck Society. Introduction Quantum chemistry – the study of the inherently quantum interactions between atoms forming part of molecules – is a cornerstone of modern chemistry. […]