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  • PhD

Jiwon Jeon, PhD


PhD, 2015

Thesis: Multiscale modeling of electron transfer reactions in solutions for the photovoltaic applications

Hyung-Kyu Lim, PhD


Present: Associate Professor, Kangwon National University (강원대학교 화학공학과)

PhD, 2017

Thesis: Multi-Scale Simulation Framework for Solid-Liquid Interface: Applications in Energy and Environmental Systems

Hankyul Lee, PhD



PhD, 2018

Thesis: Atomistic Investigation on Non-Covalent Binding Interaction in Biomolecular Systems: from Aromatic Interaction to Protein-DNA Interaction

Suji Gim, PhD


Present: Samsung Electronics (삼성전자)

PhD, 2019

Thesis: Multiscale Simulation for Accurate Prediction of Physicochemical Properties of Solid-Liquid Interface

Sungmin Kim, PhD


Present: Samsung Advanced Institute of Technology (삼성 종합기술원)

PhD, 2020

Thesis: First Principles Modeling on Stability of Perovskite Solar Cell Materials

Seung-Jae Shin, PhD


Present: Post Doc, Yonsei U & Imperial College London

PhD, 2022

Thesis: Development of Mean-field QM/MM method for Atom-scale Investigation of Electrochemical Interfaces

Dongyup Shin, PhD


Present: Post Doc, KIST

PhD, 2022

Thesis: Density Functional Study of Electrochemical Small-Molecule Conversion on Single-Atom Catalysts

Hyeyoung Shin, PhD


Present: Assistant Professor, Chungnam National University (충남대학교 에너지과학기술대학원)

PhD, 2016

Thesis: Multiscale Materials Modelling and Design for Heterogeneous Catalysts Applications

Taedaehyeong Eom, PhD


Present: Samsung Electro Mechanics (삼성전기)

PhD, 2018

Thesis: First Principles Based Multiscale Model of The Configuration Dependent Materials Properties

Minho Kim, PhD


Present: Assistant Professor, Kyung Hee University (경희대학교 응용화학과)

PhD, 2019

Thesis: First-Principles Simulations on the Interfacial Interactions: from Method Development to Applications

Myung Hoon Han, PhD


Present: Samsung Electronics (삼성전자)

PhD, 2019

Thesis: Density-Functional Theory Studies of the Calculation method for Catalyst and the Material’s Energy Barrier

Kangjin Cho, PhD


Present: Secretary, Korea Government

PhD, 2020

Thesis: Molecular Dynamics Simulation Studies on Fluid Transport Properties at Solid-Liquid Interfaces

Yoonhoo Ha, PhD


Present: Samsung Advanced Institute of Technology (삼성 종합기술원)

PhD, 2022

Thesis: First-Principles Time-Domain Study on Enhanced Luminescence of Nanostructured Halide Perovskites

Dooam Paik, PhD



PhD, 2024

Thesis: Understanding Pi-Pi Interaction in Water Using Mean-field QM/MM Method

  • MS

Kyeonghee Jeon


Present: Samsung SDI (삼성 SDI)

MS, 2015

Thesis: Material Simulation for Environmental Applications towards Water Treatment and Carbon Dioxide Separations

Ye-Seol Ha


Present: LG Innotek (LG 이노텍)

MS, 2018

Thesis: Atomistic Modeling on the Microstructure of Organic Functional Materials for the Energy Applications

  • Post Docs

Lamjed Debbichi, PhD

​람제드 드비치

Present: Data Scientist at Faurecia, France


MS/PhD in Physics, University of Strasbourg, France

BS/MS in Physics, University of Sfax, Tunisia

Stefan Ringe, PhD

​스테판 링에

Present: Assistant Professor, Korea University (고려대 화학과)


PhD in Chemistry, Technical University of Munich, Germany

BS/MS in Chemistry, University of Goettingen, Germany

  • Honorary Members (not official, but very special)

Jeong-Mo Choi, PhD


Present: Assistant Professor, Pusan National University (부산대학교 화학과)

m-Design as an undergraduate researcher

PhD in Chemistry, Harvard University, USA

BS in Chemistry, KAIST

Won June Kim, PhD


Present: Assistant Professor, Changwon National University (창원대학교 화학과)

m-Design as a co-advisee

PhD in Chemistry, KAIST

BS in Chemistry, KAIST

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