차세대 에너지 시스템을 위한 다중스케일 모델링 — 고려대학교
연구실 사진 더 보기 →움직임으로 보는 우리의 연구
Machine-learning accelerated molecular dynamics of the graphene–water interface, showing that graphene is hydrophobic and microscopically not wetting transparent.
Read the paper →A solvated Lithium-Acetate ion pair in explicit water, simulated via machine-learning-accelerated quantum chemically accurate molecular dynamics.
Carbon monoxide adsorbate distribution on Copper (111) surface, determining selectivity in electrochemical CO$_2$ reduction, simulated via machine-learning-accelerated Monte Carlo sampling.