JOIN CMD LAB

Design the Energy Materials the World Has Not Yet Discovered

The Computational Materials Design Laboratory at Konkuk University is recruiting highly motivated graduate students who want to solve important energy and materials challenges through computational chemistry, molecular simulation, and artificial intelligence.

Our laboratory is currently conducting four major government-funded research projects, providing new members with stable research opportunities across AI-driven materials discovery, next-generation batteries, and green hydrogen technologies.

Open Positions

• Ph.D. Students

• M.S. Students

• Pre-admission Researchers

International and domestic applicants are welcome.

Graduate positions | Seoul, South Korea

Why Join CMD Lab?

Build a Rare and Highly Competitive Research Profile

Future materials researchers need more than expertise in a single simulation method. At CMD Lab, you will develop an integrated research skill set combining:

• Density functional theory (DFT)

• Molecular dynamics (MD)

• Artificial intelligence and machine learning

• High-throughput materials screening

• Generative and evolutionary materials design

• Multiscale and process-level modeling

This combination prepares our members for competitive careers in academia, national research institutes, and technology-driven industries.

Work on Research That Leads to Publications

Students are trained to move beyond routine calculations and develop complete scientific stories—from defining an important research question to interpreting results and preparing a manuscript.

You will receive close guidance in:

• Designing original and publishable research

• Interpreting electronic structures and reaction mechanisms

• Connecting theoretical predictions with experiments

• Preparing figures, manuscripts, and responses to reviewers

• Presenting research at conferences and international meetings

Our goal is for each member to grow into an independent computational materials scientist capable of leading high-impact research.

Collaborate Beyond the Laboratory

CMD Lab works closely with leading experimental and theoretical research groups in Korea, the United States, Europe, and Asia.

Through these collaborations, students can learn how computational predictions guide experiments and how combined theoretical–experimental studies develop into internationally competitive publications.

Research Opportunities

AI-Driven Materials Discovery

Explore chemical spaces that cannot be searched through conventional trial-and-error approaches.

Research topics include:

• Machine-learning prediction of molecular and materials properties

• Generative and evolutionary design of new materials

• High-throughput screening of millions to billions of candidates

• Explainable AI for structure–property relationships

• Autonomous optimization of energy materials

Next-Generation Batteries

Design electrode materials with higher energy density, improved stability, and new charge-storage mechanisms.

Research topics include:

• Organic and inorganic electrode materials

• Multielectron redox reactions

• Electrolyte–electrode interactions

• Ion insertion and diffusion

• AI-assisted discovery of battery materials

Green Hydrogen and Electrocatalysis

Understand catalytic mechanisms at the atomic scale and design more active and durable catalysts.

Research topics include:

• Hydrogen evolution reaction

• Oxygen evolution reaction

• Defect and vacancy engineering

• Two-dimensional catalysts

• Single-atom and transition-metal catalysts

• Catalyst stability under realistic reaction conditions

Molecular Separation and Multiscale Modeling

Connect molecular-level interactions with macroscopic material and process performance.

Research topics include:

• Gas adsorption and separation

• Porous materials and molecular transport

• Grand canonical Monte Carlo simulations

• Molecular dynamics

• Process-level performance prediction

Your Development in CMD Lab

1. Learn

Build a strong foundation in computational chemistry, materials science, and scientific programming.

2. Discover

Develop an original research question and generate results using advanced simulations and AI.

3. Publish

Transform your results into a complete scientific story and an international journal publication.

4. Lead

Grow into an independent researcher who can design projects, collaborate across disciplines, and communicate scientific ideas effectively.

Previous experience in DFT, molecular simulation, or machine learning is an advantage but is not required for graduate applicants. Motivation, intellectual curiosity, and the willingness to learn are more important.

What We Provide

• Financial support (KRW 1.5–2.0 million per month) for eligible full-time graduate students

• Direct research mentoring from the principal investigator

• Access to high-performance computing and AI infrastructure

• Participation in major government-funded research projects

• Opportunities for first-author publications in high-impact journals

• Domestic and international research collaborations

• Support for conference presentations and professional development

• Guidance throughout admission, visa, and settlement procedures

Financial support and its detailed conditions depend on the applicant’s position, qualifications, admission status, and applicable funding regulations.

Who Should Apply?

We welcome applicants with backgrounds in:

• Chemical Engineering

• Materials Science and Engineering

• Chemistry

• Physics

• Energy Engineering

• Computer Science

• Artificial Intelligence

• Related scientific and engineering disciplines

Strong candidates should demonstrate:

• Genuine interest in computational materials research

• Curiosity about energy and sustainability challenges

• Willingness to learn programming and simulation methods

• Ability to communicate and collaborate

• Commitment to developing research into peer-reviewed publications

Now Recruiting for Spring 2027

Konkuk University’s application period for Spring 2027 graduate admission is:

September 30–October 20, 2026

Prospective applicants are strongly encouraged to contact Prof. Kim before submitting the university application so that research interests, funding availability, and admission requirements can be discussed in advance.

How to Apply

Please email the following materials to Prof. Ki Chul Kim:

Email: kich2018@konkuk.ac.kr
Subject: [CMD Lab Application] Position – Full Name

Graduate Applicants

• Curriculum vitae

• Undergraduate and graduate transcripts, if applicable

• Brief description of research interests

• English proficiency information, if available

Postdoctoral Applicants

• Curriculum vitae

• Publication list

• Two or three representative publications

• Brief research proposal or statement of research interests

Shortlisted applicants will be invited to an online interview.

Start Your Next Research Chapter in Seoul

CMD Lab is looking for researchers who want to do more than operate computational software. We seek people who want to understand materials, discover new scientific principles, and develop ideas that can shape the future of energy technology.

If you are ready to combine computation, chemistry, and AI to discover better materials, we would be pleased to hear from you.

APPLY TO CMD LAB