Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields

Author:

Bedrov Dmitry1ORCID,Piquemal Jean-Philip234ORCID,Borodin Oleg5ORCID,MacKerell Alexander D.6ORCID,Roux Benoît7ORCID,Schröder Christian8ORCID

Affiliation:

1. Department of Materials Science & Engineering, University of Utah, 122 South Central Campus Drive, Room 304, Salt Lake City, Utah 84112, United States

2. Laboratoire de Chimie Théorique, Sorbonne Université, UMR 7616 CNRS, CC137, 4 Place Jussieu, Tour 12-13, 4ème étage, 75252 Paris Cedex 05, France

3. Institut Universitaire de France, 75005, Paris Cedex 05, France

4. Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States

5. Electrochemistry Branch, Sensors and Electron Devices Directorate, Army Research Laboratory, 2800 Powder Mill Road, Adelphi, Maryland 20703, United States

6. Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 Penn Street, Baltimore, Maryland 21201, United States

7. Department of Biochemistry and Molecular Biology, Gordon Center for Integrative Science, University of Chicago, 929 57th Street, Chicago, Illinois 60637, United States

8. Department of Computational Biological Chemistry, University of Vienna, Währinger Strasse 17, A-1090 Vienna, Austria

Funder

Basic Energy Sciences

Austrian Science Fund

Army Research Laboratory

National Institutes of Health

Publisher

American Chemical Society (ACS)

Subject

General Chemistry

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