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

atomicrex

A tool for the construction of interaction models

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hiPhive

hiPhive

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

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dynasor

dynasor

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

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libvdwxc

libvdwxc

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

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vcsgc-lammps

vcsgc-lammps

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

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