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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

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

Seokhyun Choung's Projects

catkit icon catkit

General purpose tools for high-throughput catalysis

pyband icon pyband

band plot using python matplotlib

s-choung.github.io icon s-choung.github.io

:triangular_ruler: Jekyll theme for building a personal site, blog, project documentation, or portfolio.

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