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이미지 제공: Steve Johnson

Research

In Silico Design of Green Energy Materials

  • Hydrogen production catalysts

  • Hydrogen conversion catalysts

  • Energy storage materials

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Appl. Catal. B (2023)

Computational Chemistry for Electrochemistry

  • Machine learning potential (MLP)

  • Grand canonical density functional theory (GC-DFT)

  • Reactive force field molecular dynamics (Reax FF)

  • Density-corrected density functional theory (DC-DFT)

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Phys. Rev. Lett. (2013)

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