Bio: Computational Catalysis for Sustainable energy and synthesis
Location: S.Korea SNU CCEL
CCEL
PhD student at Computational Catalysis and Emerging Materials Laboratory, POSTECH
Research focus: Effective computational catalyst design for climate change mitigation and clean production
Ab initio calculations, Molecular Dynamics, and Machine Learning potential
Publications
Contributed to 11 research papers on Electrocatalytic and thermocatalytic reactions Read more on Google Scholar
Repositories Overview
1) FineTuneMLP_SA_Design: Code and datasets for Finetuning MLP for SA on oxide global optimization and efficient screening link
2) NEasy: Packages for easy and fast NEB calculations with a user-friendly interface for tasks link
3) Research_utility: Collection of Jupyter Notebooks for various research tasks and utilities link
4) CER_repository_CCEL: Contains all scripts and main data for the manuscript "Atomic-level tuning of single-atom catalyst for selective electrocatalytic chlorine evolution reaction" link
5) Matlantis_benchmarking: Trial and error for finding out how good the potential is. link
6) OZER: Code repository for two papers on electrochemical water oxidation selectivity and cleaner ozone production link