Parameterization of electrostatic interactions for molecular dynamics simulations of heterocyclic polymers

Author:

Nazarychev Victor M.1,Larin Sergey V.1,Yakimansky Alexander V.12,Lukasheva Natalia V.1,Gurtovenko Andrey A.13,Gofman Iosif V.1,Yudin Vladimir E.14,Svetlichnyi Valentin M.1,Kenny Jose M.1,Lyulin Sergey V.13

Affiliation:

1. Institute of Macromolecular Compounds, Russian Academy of Sciences; Bolshoi pr. 31 (V.O.) St. Petersburg 199004 Russia

2. Saint-Petersburg National Research University of Information Technologies, Mechanics, and Optics; Kronverkskii pr., 49 St. Petersburg 197101 Russia

3. Department of Physics; St. Petersburg State University; Ul'yanovskaya str. 1 Petrodvorets St. Petersburg 198504 Russia

4. St.Petersburg State Polytechnic University; Polytechnicheskaya str. 29, St.Petersburg 195251 Russia

Funder

Russian Ministry of Education and Science within State

Institute of Macromolecular Compounds

Russian Academy of Sciences

Chebyshev and Lomonosov supercomputers at Moscow State University

Government of the Russian Federation

Enikolopov Institute of Synthetic Polymeric Materials, Russian Academy of Sciences

Publisher

Wiley

Subject

Materials Chemistry,Polymers and Plastics,Physical and Theoretical Chemistry,Condensed Matter Physics

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