Charge and Exciton Transfer Simulations using Machine-Learned Hamiltonians.
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DOI: 10.1021/acs.jctc.0c00246
Abstract: Quantum mechanical simulations of charge and exciton transfer in molecular organic materials are a key method to increase our understanding of organic semiconductors. Our goal is to build an efficient multi-scale model to predict charge… read more here.
Keywords: machine; transfer simulations; exciton transfer; charge exciton ... See more keywords