Projects

Scientific Software

Updated 6 months ago

cifkit — Peer-reviewed • Rank 8.8 • Science 95%

cifkit: A Python package for coordination geometry and atomic site analysis - Published in JOSS (2024)

coordination-environment crystallography high-throughput site-analysis solid-state

Engineering

Scientific Software · Peer-reviewed

Updated 6 months ago

sisl • Rank 15.8 • Science 67%

Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations

bigdft condensed-matter density-functional-theory dft geometry graphene gulp negf physics siesta solid-state solid-state-physics tbtrans tight-binding transiesta vasp wannier90

Scientific Software

Updated 6 months ago

PolaronMobility.jl — Peer-reviewed • Rank 4.3 • Science 59%

PolaronMobility.jl: Implementation of the Feynman variational polaron model - Published in JOSS (2018)

mobility path-integral physics polarons solid-state

Scientific Software · Peer-reviewed

Updated 6 months ago

grogupy • Science 67%

Python package calculating relativistic magnetic interactions for the generalised Heisenberg model.

density-functional-theory dft heisenberg-model magnetic-materials magnetism physics siesta solid-state solid-state-physics wannier90

ecosyste.ms

Data

Tools

Indexes

Applications

Experiments

Open Source Science

cifkit — Peer-reviewed • Rank 8.8 • Science 95%

sisl • Rank 15.8 • Science 67%

PolaronMobility.jl — Peer-reviewed • Rank 4.3 • Science 59%

grogupy • Science 67%