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, electrocatalysis, sustainable energy, and machine learning. We develop and apply electronic structure theory, i.e., density functional theory and correlated wavefunction theory, to design heterogeneous catalysts
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, heterogeneous catalysis, electrocatalysis, sustainable energy, and machine learning. We develop and apply electronic structure theory, i.e., density functional theory and correlated wavefunction theory, to design
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the group’s research and philosophy head over to www.d2r2group.com Qualifications Strong background in ab-initio calculations of materials (density functional theory) and high-performance computing
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functional theory) and high-performance computing. Additional background in renewable energy, surface science, catalysis, and/or machine learning. Strong programming skills in Python and some exposure to