physics

Atomic Simulation Environment: A Python library for working with atoms

OpenMolcas is a quantum chemistry software package.

The key feature of OpenMolcas is the multiconfigurational approach to the electronic structure.

Mandos is a general purpose differentiable simulator for C++ and Python.

ABACUS calculator for Atomic Simulation Environment. More information please refer to ABACUS online documentation

A python tool box for GPUMD simulations

Код лабораторных работ по курсу "Цифровизация физических процессов" ВШПИ 2 курс.

A Pythonic approach to cluster expansions

High-order force constants for the masses

URANOS - the Ultra Rapid Neutron-Only Simulation is a Monte Carlo toolkit specifically tailored for Environmental Sciences

Python library for analysing atomic resolution images: https://atomap.org/

General purpose angular resolved photoelectron photoemission spectroscopy (ARPES) analysis tool

A command line program, and Python package, for computing parameters associated with Fabry-Perot optical cavities.

SuperConga: Superconductivity simulation framework on GPU.

UNIFIT is a highly flexible program for fitting theories to experimental data.

Utilities for computational catalysis.

Data for the publication "Finding the ground state of a lattice gauge theory with fermionic tensor networks: a 2+1d Z2 demonstration" (arxiv:arXiv:2211.00023,DOI:10.1103/PhysRevD.107.014505)

pymecavideo is a physics software that allow pointing on picture to analysis movements.

Program to compute de Laval nozzles profiles in rarefied gas flow

qocttools package, designed to be used on top of qutip. It implements a number quantum optimal control utilities.

See the documentation for the latest stable version at https://qocttools.readthedocs.io/

See the documentation for the latest developer's version at https://acbarrigon.gitlab.io/qocttools/

Flexible and easy to use non-linear transient electric circuit simulator.