Method and software development constitutes a key part of our research work. Many of our projects are hosted on gitlab. Follow the links below if you are interested in any of these projects either as user or developer.

hiPhive

A tool for constructing anharmonic (high order) force constant models

Learn More

icet

A Pythonic approach to cluster expansions

Learn More

dynasor

A tool for calculating dynamical structure factors and correlation functions from molecular dynamics simulations

Learn More

calorine

A Python tool box for GPUMD simulations

Learn More

wulffpack

A package for Wulff constructions

Learn More

rhodent

Analyzing hot-carrier distributions

Learn More

trainstation

Convenient training of linear models

Learn More

sharc

Web applications for exploring materials and accessing data

Learn More

atomicrex

A tool for the construction of interaction models

Learn More

libvdwxc

A portable C library of density functionals with van der Waals interactions for density functional theory

Learn More

vcsgc-lammps

A Monte Carlo module for lammps that allows simulations in the SGC and VCSGC ensembles

Learn More