xiaozhu9904

pyqed

Computational tools for light-matter interaction including a whole zoo of nonlinear spectroscopic signals; nonadiabatic molecular dynamics, periodically driven quantum systems, quantum dynamics of open systems, and electronic and optical properties of matter.

NEXMD

GH-GNN

Gibbs-Helmholtz Graph Neural Network

ProgrammingProjects

C++ Programming Tutorial in Chemistry

DuIvyTools

A Tool to process the result files of GMX MD.

Python

All Algorithms implemented in Python

xiaozhu9904

Config files for my GitHub profile.

properties

Molecular and crystal electromagnetic properties

openDiagram

Extaction of semantic data from diagrams in scientific and other technical/business documents