Group of Prof. Dr. Barbara Kirchner, University of Bonn
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peacemaker3
peacemaker3 PublicPeacemaker program package for Quantum Cluster Equilibrium calculations
Fortran 3
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cluster-analysis
cluster-analysis PublicCollection of input files relevant to our paper on cluster analysis as implemented in TRAVIS
Python 1
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Repositories
- CONAN-build-inputs Public
Repository that contains the input-files for the paper "CONAN Build: Building functionalized or doped carbon nano-materials"
kirchners-manta/CONAN-build-inputs’s past year of commit activity - multifidelity-water Public
kirchners-manta/multifidelity-water’s past year of commit activity - conan Public
CONAN is a tool to generate carbon and boron nitride structures, and to analyze molecular dynamics trajectories composed of a liquid at solid interfaces.
kirchners-manta/conan’s past year of commit activity - il-benchmark Public
Files and data related to our paper on benchmarking the calculations of dynamic properties of ionic liquids
kirchners-manta/il-benchmark’s past year of commit activity - il-graphene-ff Public
Scripts and files related to our paper on a polarizable force field for the IL/graphite interface.
kirchners-manta/il-graphene-ff’s past year of commit activity
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