Coupling Coarse-Grained to Fine-Grained Models via Hamiltonian Replica Exchange

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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

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Yang Liu1, Weria Pezeshkian1, Jonathan Barnoud1

  • 1Groningen Biomolecular Sciences and Biotechnology Institute and the Zernike Institute for Advanced Material, University of Groningen, Groningen 9747 AG, The Netherlands.

Journal of Chemical Theory and Computation
|June 23, 2020
PubMed

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