Dipole correction for surface supercell calculations

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  2024 Nature Communications article Materials Science Advanced Thermoelectric Materials and Devices Open access

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• Common workflows for computing material properties using different quantum engines

  2021 npj Computational Materials article Materials Science Machine Learning in Materials Science Open access

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• A simple method to calculate solution-phase free energies of charged species in computational electrocatalysis

  2021 Journal of Physics Condensed Matter article Energy Electrocatalysts for Energy Conversion Open access

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• The role of adsorbed hydroxide in hydrogen evolution reaction kinetics on modified platinum

  2020 Nature Energy article Energy Electrocatalysts for Energy Conversion Open access

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