An electronic structure package based on either plane wave basis or numerical atomic orbitals.

Efficient parallel quantum chemistry DMRG in MPO formalism

The CPC library version of QPC-TDSE.

calculate matrix elements of chiral 3N interactions in Jacobi momentum space

calculate chiral nucleon-nucleon interaction matrix elements under momentum plane-wave basis, as an input for infinite nuclear matter calculations

C++ Computational Chemistry software designed mainly as a learning tool.

Computational Physics exam @ Unitn. The repository contains a C++ code for the quantum molecular dynamics of the hydrogen molecule. The code can be found in the folder CODE, while a discussion of the outputs and the algorithms employed can be found in the REPORT folder.

ab Initio Neural Network Interatomic Engine