Research Areas

Research on nonadiabatic dynamics, electron-phonon coupling, nuclear quantum effects, scientific software, surface chemistry, and superconducting materials.

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Nonadiabatic Dynamics and Energy Dissipation at Metal Surfaces

Predictive first-principles models of electronic friction and nonadiabatic energy transfer at metal surfaces.
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First-Principles Electron-Phonon Coupling for Surface Chemistry and Superconductivity

Electron-phonon coupling from NAO-based DFPT for surface chemistry and superconductivity.
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Scalable Software Development for Predictive Atomistic Simulations

Scalable scientific software linking electronic structure, dynamics, and community methods development.
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Nuclear Quantum Effects in Interfacial Chemistry and Superconducting Materials

Ring-polymer and quantum-dynamical methods for light atoms, interfaces, and hydrogen-rich materials.