pyZacros
PY
A Python library to handle Kinetic Monte Carlo codes.
Updated 25 months ago
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1 commits | Last commit ≈ 11 months ago
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ReaxPro framework ontology
This application ontology is dedicated to the ReaxPro framework for the multi-scale modeling of catalytic materials.
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contributors
What ReaxPro framework ontology can do for you
This library provides an EMMO-complaiant semantic description of basic electronic-atomistic, mesoscopic and continuum terms so the user can build multiscale simulation (semantic-based) workflows.
Keywords
License
</>Source code
Participating organisations
Contributors
Contact person
MB
Matthias Büschelberger
Research Software Developer
Fraunhofer Institute for Mechanics of Materials IWM
JFM
Joana Francisco Morgado
Project Manager
Fraunhofer Institute for Mechanics of Materials IWM
Related projects
ReaxPro H2020
Software platform for multiscale modelling of reactive materials and processes
Updated 11 months ago
Finished
Related software
ReaxPro wrappers
RE
This repository is a collection of wrappers used in the ReaxPro project. It holds wrappers for the Amsterdam Modeling Suite (AMS) and Zacros.
Updated 1 month ago
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