janus-core, Machine Learning Interatomic Potentials (MLIP) Tool
Janus_core provides versatile tools for exploring a range of machine learning interatomic potentials. It can be accessed through the command line, Python scripts, Jupyter Notebooks, or a web interface. The platform supports various tasks, from basic calculations like single-point energies and geometry optimization to more advanced analyses, such as phonon calculations, molecular dynamics simulations, and nudged elastic band methods.
To use this resource go to the resource landing page.
This resource is part of the Data to Knowledge resource theme.
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Please cite: Elliott Kasoar, Federica Zanca, Harvey Devereux, Patrick Austin, David Mason, Jacob Wilkins and Alin Marin Elena, janus-core, Machine Learning Interatomic Potentials (MLIP) Tool, https://resources.psdi.ac.uk/tool/6bcaa538-a26f-4720-a505-bada3aa52f55 (v0.7.4, accessed CURRENT_DATE).