3 Repositories
Python ab-initio Libraries
Wannier & vASP Postprocessing module
WASPP module Wannier90 & vASP Postprocessing module with functionalities I needed during my PhD. Being updated Version: 0.5 Main functions: Wannier90
4 Dec 27, 2022
Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".
naqs-for-quantum-chemistry This repository contains the codebase developed for the paper Autoregressive neural-network wavefunctions for ab initio qua
24 Dec 23, 2022
Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics
Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics
14 Nov 6, 2022