Computational Energy Materials Science Lab


1 Postdoc position is available from summer 2021 for 2 years

We are currently looking for motivated postdoc. We welcome experts of first-principles calculation as well as experts of experiment for rechargeable batteries. See the details.

1~2 PhD positions are available for Spring 2022.

Please contact to Prof. Dong-Hwa Seo for the application and further information. (email: dseo at

Our research interests are focused on understanding the materials' properties and reaction mechanism at atomic scale and developing new energy storage materials such as electrodes and solid electrolytes for rechargeable batteries using computational modeling. We are also interested in automated materials discovery for energy applications using artificial intelligence (AI), machine learning (ML) and robotics. See the details.

본 연구실에서는 제일원리 (first-principles) 전산모사 기법을 통해 이차전지용 전극 소재와 고체 전해질 소재에 대해 원자 단위에서 깊이 있게 이해하고 이를 바탕으로 신규 소재를 개발하고 기존 소재의 성능 향상시키는 연구를 진행하고 있습니다. 또한 인공지능 (artificial intelligence)기계학습 (Machine learning), 로봇공학 (robotics)을 조합하여 자동 합성/분석을 통한 재료 개발에 대한 연구를 진행하고 있습니다. (자세한 내용 보기)

Recent News

July 2021

Seo-Young (MS 1st year) presented her experience working on Li-ion batteries field as a graduate student in front of the President, the ministers of Republic of Korea and representatives of korean battery companies in "the development strategy of K-battery" held in Ochang, Korea.

김서영 학생 (석사 1년)이 K-배터리 발전 전략보고회 'K-배터리, 세계를 차지(charge)하다!'에서 대통령, 각 장관, 이차전지 회사 대표들 앞에서 이차전지를 연구하는 대학원생의 경험을 발표하였습니다. 발전 전략 중 가장 핵심인 이차전지 전문인력 양성에 정부의 지속적인 투자가 기대됩니다. (관련 언론기사: 연합뉴스, 매일경제, 한국경제 등)

One more liquid handler, Opentron OT-2 with 300ul & 1000ul auto pipetting module has arrived. We will develop autonomous laboratory for screening polymer materials funded by LG Chem.

June 2021

Our proposal for "Material Research Data Platform Program (소재 연구데이터 플랫폼 사업단)" funded by National Research Foundation of Korea has been officially selected. CEMS lab will work on "Development of data-driven engineering for design of novel solid electrolyte materials (데이터 기반 고체전해질 소재 설계 기술 개발)" for next 7 years.

May 2021

Our recent work with prof. Jinhyuk Lee at McGill University and prof. Ju Li at MIT has been published in Advanced Energy Materials!

Development of disordered‐rocksalt (DRX) Li‐ion cathodes based on the percolation theory of Li diffusion has steered researchers to consider “Li‐excess” (x > 1.1 in LixTM2−xO2; TM = transition metal) as being critical for high performance. It is demonstrated that Li‐excess benefits are chemistry specific at the nanoparticle scale and that DRXs made with low‐voltage TMs do not require Li‐excess for high capacity.

Liquid handler (ARA Handy 40) has arrived. It will work for "Autonomous Li-ion BAttery Testing Robot SyStem (ALBATROSS)" and other project.

March 2021

Our recent work with prof. Jaephil Cho has been published in Advanced Materials!

The robot arm (Neuromeka Indy RP2 with Indyeye) has joined the group. It will work for "Autonomous Li-ion BAttery Testing Robot SyStem (ALBATROSS)" project.

Dr. Dong-Yeon Kim has joined the group as a postdoc. Jae-Seung Kim, Yoojong Park, and Youyeob Song have joined the group as a PhD student. Seo-Young Kim, Min-Jeong Gong, and Hyun-Gi Lee have joined the group as a MS student. Welcome to CEMS lab!

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