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Research
In Silico Design of Green Energy Materials
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Hydrogen production catalysts
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Hydrogen conversion catalysts
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Energy storage materials
Appl. Catal. B (2023)
Computational Chemistry for Electrochemistry
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Machine learning potential (MLP)
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Grand canonical density functional theory (GC-DFT)
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Reactive force field molecular dynamics (Reax FF)
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Density-corrected density functional theory (DC-DFT)
Phys. Rev. Lett. (2013)
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