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Electron–phonon coupling in charge transport, energy transfer, and light emission.
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Quantum dynamics and spectroscopy of correlated electronic and vibrational systems.
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Accurate, scalable electronic structure of molecules and materials.
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Quantum algorithms for chemistry and materials science.
Awards and Funding
- 2026Harvard CCB Travel Fellowship Award ($3,000).
- 2025Gordon and Betty Moore Fellowship ($192,000); one of three Harvard Division of Science recipients.
- 2024–2026Google Cloud Research Credits ($80,000).
- 2023–2025ACCESS Discover national HPC allocations (3 million compute credits).
- 2023Tsinghua University Outstanding Doctoral Dissertation Award.
Recent Talks
- 2025Past, present, and future of ab initio AFQMC for molecular systems. Beijing Normal University (virtual).
- 2025Toward accurate and scalable quantum dynamics and electronic structure simulations. Harvard Atomic Molecular Materials Science (HAMMS) Seminar.
- 2025Challenges and heuristics in unbiasing ab initio AFQMC for molecular systems. Stochastic Methods Workshop, Telluride, CO.
- 2024Unbiasing fermionic auxiliary-field quantum Monte Carlo with matrix product state trial wavefunctions. IQM, Germany (virtual).
- 2022Mixed-state real-time dynamics with variational quantum algorithms. Huawei, Beijing (virtual).
- 2021Matrix product state algorithms for spectroscopy of correlated systems. Tang Au-Chin Forum.
Service
Grant review panelist. U.S. Department of Energy, Office of Advanced Scientific Computing Research.
Journal reviewer. Science Advances; J. Phys. Chem. Lett.; J. Chem. Phys.; J. Chem. Theory Comput.; Phys. Rev. A; Phys. Rev. B; Phys. Rev. Applied; J. Comput. Phys.; Advanced Intelligent Systems; Digital Discovery.