Materials Science
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Ab Initio Simulations of Carrier Transports in Organic and Inorganic Nanosystems Principal Investigator: Lin-Wang Wang, Lawrence Berkeley National Laboratory |
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Computational Prediction and Discovery of Magnet Materials Principal Investigator: Bruce Harmon, Ames Laboratory |
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Non-Covalent Bonding in Complex Molecular Systems with Quantum Monte Carlo Principal Investigator: Dario Alfe, University College London |
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Predictive and Insightful Calculations of Energy Materials Principal Investigator: Paul Kent, Oak Ridge National Laboratory |
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Quantum Monte Carlo Simulations of Hydrogen and Water Ice Principal Investigator: Richard Needs, University of Cambridge |
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Safety in Numbers: Discovery of New Solid Li-Ion Electrolytes Principal Investigator: Boris Kozinsky, Bosch |
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Scalable First Principles Calculations for Materials at Finite Temperature Principal Investigator: Markus Eisenbach, Oak Ridge National Laboratory |