abinitio

The main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU.

Abinitio Dynamical Vertex Approximation

Utilities for ab initio modeling suite CRYSTAL, developed in Turin University

A c++ library for reading and manipulating WAVECAR files from VASP

Protein Structure Prediction is another biggest challenge that mankind is looking to solve. If solved or at least partially solved it could revolutionize medicine and drug industry.

A tool for automated in-silicio quantum multi objective optimization.

Converts avro dml to abinitio specific dml

Experimentally constrained wave function approach within the coupled cluster formalism