P

physics

A python tool box for GPUMD simulations

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.

Lecture note for Mathematical Methods for Astronomy 2

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

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

The project provides two LCAO-based Fortran codes for evaluating the electronic energies of the H2+ ion using either 1s STOs or their STO–NG Gaussian expansions. Together, they allow exploration of basis-set effects, potential energy surfaces, and electron density along the internuclear axis.

Theory and philosophy discussions about topological 4-geon theory.

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

High-order force constants for the masses

A Pythonic approach to cluster expansions

A Fortran program that performs a Monte Carlo simulation to study the interaction and equilibrium behavior of two water molecules using atomistic potentials and periodic boundary conditions.

Course material for Space Physics 2 (grad-level)

Calculate mean-squared displacements from neutron scattering inelastic scans.

Particle Physics Simulator android application project

Simple Van der Waals gas simulation program written in Fortran. Includes a serial code version and a version parallelized using OpenMPI.

Lecture note for Electromagnetism 1

Lecture note for Mathematical Methods for Astronomy 1

Measurements.jl layer for UnitSystems.jl

Dimensions and Quantities for UnitSystems.jl