Electrochemical Energy Group
Foundation Models for Discovery and Exploration in Chemical Space Lithium nitride (Li3N) formation in lithium-mediated electrochemical ammonia synthesis can be enhanced with the right proton donor Smirk: An atomically complete tokenizer for molecular foundation models Thermodynamic Origin of Li Underpotential and Overpotential Deposition on Current Collectors CLOUD: A Scalable and Physics-Informed Foundation Model for Crystal Representation Learning DREAMS: Density Functional Theory Based Research Engine for Agentic Materials Simulation Modeling Scanning Electrochemical Cell Microscopy (SECCM) in Twisted Bilayer Graphene Foundation Models for Discovery and Exploration in Chemical Space Lithium nitride (Li3N) formation in lithium-mediated electrochemical ammonia synthesis can be enhanced with the right proton donor Smirk: An atomically complete tokenizer for molecular foundation models Thermodynamic Origin of Li Underpotential and Overpotential Deposition on Current Collectors CLOUD: A Scalable and Physics-Informed Foundation Model for Crystal Representation Learning DREAMS: Density Functional Theory Based Research Engine for Agentic Materials Simulation Modeling Scanning Electrochemical Cell Microscopy (SECCM) in Twisted Bilayer Graphene

Research

Research Areas

Our group’s research areas span a wide and always-evolving range, but all build on core expertise in materials science, electrochemistry, and computational modeling. Some representative research areas are listed here.

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Research Methods

Our group is primarily computational/theoretical, with a small but growing experimental presence in collaboration with Prof. Jay Whitacre, focused on integrating machine learning approaches with automated experimentation. We have a strong commitment to using and contributing to open-source software development efforts. We’re always learning more, but the current methods/tools most commonly used in the group are summarized here.

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Research Thrusts

We work toward improving performance, cost, and safety of virtually every kind of electrochemical system at every scale, from the atomic to the national. Some of the goals and vision that drive our research are listed here.

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News

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