Challenges for excited states and dynamics II
FOCUS · V03
Presentations
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Non-adiabatic couplings in the EOM-CC framework
Invited
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Presenters
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Anna Krylov
Univ of Southern California, University of Southern California
Authors
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Anna Krylov
Univ of Southern California, University of Southern California
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Partial Hydrodynamic Representation of Quantum Molecular Dynamics
ORAL
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Presenters
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Ignacio Franco
Univ of Rochester, University of Rochester, Chemistry , University of Rochester
Authors
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Bing Gu
Univ of Rochester
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Ignacio Franco
Univ of Rochester, University of Rochester, Chemistry , University of Rochester
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Machine Learning Optimal Effective Hamiltonians for Excited State Molecular Systems
ORAL
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Presenters
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Ben Nebgen
Los Alamos National Lab
Authors
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Ben Nebgen
Los Alamos National Lab
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Nick Lubbers
Los Alamos National Lab
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Andrey Lokhov
Los Alamos National Lab
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Kipton Barros
Theoretical Division, Los Alamos National Laboratory, Los Alamos National Lab, Los Alamos National Laboratory
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Sergei Tretiak
Los Alamos Natl Lab, Los Alamos National Lab, Los Alamos National Laboratory, Physics and Chemistry of Materials, Los Alamos National Laboratory
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Electronic Delocalization, Vibrational Dynamics, and Energy Transfer in Organic Chromophores
ORAL
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Presenters
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Tammie Nelson
Los Alamos Natl Lab, Los Alamos National Laboratory
Authors
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Tammie Nelson
Los Alamos Natl Lab, Los Alamos National Laboratory
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Sebastian Fernandez Alberti
Universidad Nacional de Quilmes, Department of Science and Technology, National University of Quilmes
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Adrian Roitberg
University of Florida
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Sergei Tretiak
Los Alamos Natl Lab, Los Alamos National Lab, Los Alamos National Laboratory, Physics and Chemistry of Materials, Los Alamos National Laboratory
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Open challenges in nonadiabatic dynamics: photons and electron-hole pairs
Invited
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Presenters
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Joseph Subotnik
Univ of Pennsylvania
Authors
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Joseph Subotnik
Univ of Pennsylvania
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Quantum Mechanical Photochemistry
Invited
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Presenters
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Donald Truhlar
Chemistry, University of Minnesota, Univ of Minnesota - Twin Cities, Univ of Minn - Minneapolis
Authors
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Donald Truhlar
Chemistry, University of Minnesota, Univ of Minnesota - Twin Cities, Univ of Minn - Minneapolis
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Quinonile Photobasicity is Mediated by Hole Injection
ORAL
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Presenters
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Saswata Roy
Chemistry, University of California, Irvine
Authors
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Saswata Roy
Chemistry, University of California, Irvine
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Filipp Furche
Chemistry, University of California, Irvine, Chemistry Department, University of California, University of California Irvine
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Splitting a system into small fragments: Electron dynamics from real-time density matrix embedding theory
ORAL
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Presenters
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Joshua Kretchmer
Caltech
Authors
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Joshua Kretchmer
Caltech
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Garnet Chan
Caltech, CCE, California Institute of Technology, Division of Chemistry and Chemical Engineering, California Institute of Technology, Division of Chemistry and Chemical Engineering, Caltech
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Quantifying Early Time Quantum Decoherence Dynamics through Fluctuations
ORAL
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Presenters
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Bing Gu
University of Rochester, Chemistry , University of Rochester
Authors
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Bing Gu
University of Rochester, Chemistry , University of Rochester
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Ignacio Franco
Univ of Rochester, University of Rochester, Chemistry , University of Rochester
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