Computational Physics and Machine Learning for Optimizing Energy Conversion and Flow

Presentations

• Machine Learning-Generated Effective Interaction Models for Chemistry

  ORAL · Invited

  March 20, 2026, 8:00 AM – March 20, 2026, 8:36 AM

  Presenters

  • Karol Kowalski

    • Pacific Northwest National Lab
    • Pacific Northwest National Laboratory
    • PNNL

  Authors

  • Karol Kowalski

    • Pacific Northwest National Lab
    • Pacific Northwest National Laboratory
    • PNNL

  • Nicholas P Bauman

    • Pacific Northwest National Laboratory

  • Senwei Liang

    • Lawrence Berkeley National Laboratory

  • Chao Yang

    • Lawrence Berkeley Lab
    • Lawrence Berkeley National Lab

  View abstract →

• Towards Understanding the Spin Selective Energy Processes in Chiral Systems

  ORAL · Invited

  March 20, 2026, 8:36 AM – March 20, 2026, 9:12 AM

  Presenters

  • Mark van Schilfgaarde

    • National Renewable Energy Laboratory
    • National Renewable Energy Laboratory (NREL)
    • National Laboratory of the Rockies

  Authors

  • Mark van Schilfgaarde

    • National Renewable Energy Laboratory
    • National Renewable Energy Laboratory (NREL)
    • National Laboratory of the Rockies

  • Matthew C Beard

    • National Renewable Energy Laboratory (NREL)

  • Igor Zutic

    • State Univ of NY - Buffalo
    • University at Buffalo, State University of New York

  • Mark R Pederson

    • University of Texas at El Paso

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• Local Fermi Orbitals: From DFT Corrections to Molecular Charge Transfer

  ORAL · Invited

  March 20, 2026, 9:12 AM – March 20, 2026, 9:48 AM

  Presenters

  • Tunna Baruah

    • University of Texas at El Paso
    • university of texas at el paso

  Authors

  • Tunna Baruah

    • University of Texas at El Paso
    • university of texas at el paso

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• Ultrafast Transversal CISS Effect Observed in a Chiral Photoswitching Molecule

  ORAL · Invited

  March 20, 2026, 9:48 AM – March 20, 2026, 10:24 AM

  Publication: C. Seibel, J.H. Soh, S. Zilberg, and A.I. Krylov Ultrafast transversal CISS effect observed in a chiral photoswitching molecule J. Phys. Chem. Lett. 16, 8514 – 8522 (2025)
  

  Presenters

  • Anna Krylov

    • University of Southern California

  Authors

  • Anna Krylov

    • University of Southern California

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• Spin Chirality-Induced Spin-electric Coupling and Level Splitting in Three-Center Molecular Magnets

  ORAL · Invited

  March 20, 2026, 10:24 AM – March 20, 2026, 11:00 AM

  Presenters

  • Carlo M Canali

    • Linnaeus University

  Authors

  • Carlo M Canali

    • Linnaeus University

  View abstract →