Predictive Model of Charge Mobilities in Organic Semiconductor Small Molecules with Force-Matched Potentials

Author:

Dantanarayana Varuni12,Nematiaram Tahereh3ORCID,Vong Daniel4,Anthony John E.5ORCID,Troisi Alessandro3ORCID,Nguyen Cong Kien6,Goldman Nir27ORCID,Faller Roland7ORCID,Moulé Adam J.7ORCID

Affiliation:

1. Department of Chemistry, University of California—Davis, Davis, California 95616, United States

2. Lawrence Livermore National Laboratory, Livermore, California 94550, United States

3. Department of Chemistry and Materials Innovation Factory, University of Liverpool, Liverpool L69 3BX, United Kingdom

4. Department of Materials Science and Engineering, University of California—Davis, Davis, California 95616, United States

5. Department of Chemistry, University of Kentucky, Lexington, Kentucky 40506, United States

6. Department of Physics, University of South Florida, Tampa, Florida 33620, United States

7. Department of Chemical Engineering, University of California—Davis - Davis, California 95616, United States

Funder

Oak Ridge National Laboratory

Basic Energy Sciences

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

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