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.

atomicrex

A tool for the construction of interaction models

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hiPhive

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

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icet

A Pythonic approach to cluster expansions

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wulffpack

A package for Wulff constructions

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dynasor

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

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libvdwxc

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

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vcsgc-lammps

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

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