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Sarath Menon

Group Leader, Atomistic Simulation of Thermodynamic Properties, ICAMS, Ruhr-University Bochum
Software Developer, ACEworks GmbH
Guest Researcher, Computational Materials Design, Max Planck Institute for Sustainable Materials

My research focuses on the calculation of thermodynamic quantities such as free energies and phase diagrams using atomistic simulations and machine learning interatomic potentials (MLIPs), in particular the Atomic Cluster Expansion (ACE) and the deep-learning-based Graph Atomic Cluster Expansion (GRACE), in JAX and TensorFlow. I also work on data infrastructure for materials science, including ontology-based knowledge graphs and LLM-driven natural-language querying of simulation data (see kg.fair-workflows.org), as part of the NFDI-MatWerk consortium. I am passionate about open-source software and serve as a topical editor for the Journal of Open Source Software.

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_{Last updated: May 2026.}