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### Education

**2021: Doctor of Engineering**  
_[Department of Mechanical Engineering](https://www.mb.rub.de/), [Ruhr Universität Bochum](https://www.ruhr-uni-bochum.de/en)_ <br><br> 


**2018: Master of Science in Materials Science and Simulation**  
_[ICAMS](https://www.icams.de/content/), [Ruhr Universität Bochum](https://www.ruhr-uni-bochum.de/en)_ <br><br>


**2012: Bachelor of Technology in Mechanical Engineering**  
_[National Institute of Technology Calicut](https://www.nitc.ac.in/)_ <br><br>  


### Experience

**Research Group Leader (Apr 2025 - present)**  
_[Atomistic Simulation of Thermodynamic Properties, Atomistic Modelling and Simulation, ICAMS, Ruhr University Bochum](https://www.icams.de/institute/departments-groups/atomistic-modelling-and-simulation/atomistic-simulation-of-thermodynamic-properties/)_  

Development and application of atomistic simulation methods to calculate thermodynamic properties of materials and construct phase diagrams. A focus on machine learning interatomic potentials, in particular the atomic cluster expansion and its extensions (ACE, GRACE) to deliver ab initio accuracy at greatly reduced computational cost. Another key activity is the development and maintenance of scientific software and computational workflows that integrate every step of the research process in a reproducible and reusable manner. <br><br>

**Software Developer (Jan 2025 - present)**  
_[ACEworks GmbH](https://aceworks.works/), Bochum_  

Development of infrastructure for foundational machine learning interatomic potentials, including the deep-learning-based [GRACE](https://gracemaker.readthedocs.io/) and the [ACE](https://github.com/ICAMS/lammps-user-pace) family, in JAX and TensorFlow. Building customer-facing analysis, benchmarking, and workflow tooling for MLIP deployment in industry. <br><br>

**Research Associate (Feb 2022 - Mar 2025)**  
_[Computational Materials Design, Max Planck Institute for Sustainable Materials](https://www.mpie.de/CM)_  

Developing software and workflows to enable [FAIR](https://www.go-fair.org/fair-principles/) and reproducible research in Materials Science as part of the [NFDI-MatWerk consortium](https://nfdi-matwerk.de/). My work includes the development of the open-source workflow environment [pyiron](https://pyiron.org/), providing open-source access to software using [conda-forge](https://conda-forge.org/), and organisation of training and workshops. <br><br>


**Research Associate (Oct 2020 - Feb 2022)**  
_[Atomistic modelling and simulation, ICAMS, Ruhr Universität Bochum](http://www.icams.de/content/departments/atomistic-modelling-and-simulation/)_

Developing automated tools for testing and validation of material properties predicted by interatomic potentials as part of [DFG project 405621217](https://gepris.dfg.de/gepris/projekt/405621217?context=projekt&task=showDetail&id=405621217&). My work also includes development of Machine Learning [Atomic Cluster Expansion](https://github.com/ICAMS/lammps-user-pace) interatomic potentials. <br><br>


**Doctoral candidate (Aug 2018 - Oct 2020)**  
_[Atomistic modelling and simulation, ICAMS, Ruhr Universität Bochum](http://www.icams.de/content/departments/atomistic-modelling-and-simulation/)_

Doctoral student as a part of the [International Max Planck Research School for Interface Controlled Materials for Energy Conversion](https://www.mpie.de/2747306/doctoral_programme) and working in the group [Atomistic simulation of the kinetics of phase transformations](http://www.icams.de/content/departments/atomistic-modelling-and-simulation/atomistic-simulation-of-the-kinetics-of-phase-transformations/). Project is the study of nucleation during solidification in transition metals using atomistic simulation methods like [transition path sampling](https://en.wikipedia.org/wiki/Transition_path_sampling). <br><br>


**Student assistant (Aug 2016 - Aug 2020)**  
_[Atomistic modelling and simulation, ICAMS, Ruhr Universität Bochum](http://www.icams.de/content/departments/atomistic-modelling-and-simulation/)_

Developing and testing of a python wrapper for transition interface sampling. Work responsibilities included developing code to implement the method, testing of the
  code, maintaining a repository and wiki, creating examples and tutorials. <br><br>


**Assistant manager, Manufacturing (Oct 2012 - Jun 2014)**  
_[Commercial vehicles axles, Tata Motors Ltd., Pune, India](https://www.tatamotors.com/)_

Monitoring and planning for daily production, inventory, productivity, cost and
quality targets. Identification of customer quality issues and effective resolution. <br><br>

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