Application of Screening Functions as Cutoff-Based Alternatives to Ewald Summation in Molecular Dynamics Simulations Using Polarizable Force Fields-Reference-Cited by-同舟云学术

Application of Screening Functions as Cutoff-Based Alternatives to Ewald Summation in Molecular Dynamics Simulations Using Polarizable Force Fields

Published:2018-01-31 Issue:2 Volume:14 Page:768-783
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Vatamanu Jenel¹²^ORCID,Borodin Oleg²^ORCID,Bedrov Dmitry¹^ORCID

Affiliation:

1. Department of Materials Science and Engineering, University of Utah, 122 South Central Campus Dr., Salt Lake City, Utah 84112, United States

2. Electrochemistry Branch, Sensors and Electron Devices Directorate, Army Research Laboratory, 2800 Powder Mill Rd., Adelphi, Maryland 20783, United States

Funder

Oak Ridge Associated Universities

Army Research Laboratory

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b01043

Reference67 articles.

1. Die Berechnung optischer und elektrostatischer Gitterpotentiale

2. Simulation of electrostatic systems in periodic boundary conditions. I. Lattice sums and dielectric constants

3. Ewald summation for systems with slab geometry

4. A smooth particle mesh Ewald method

5. Rigorous Error Bounds for Ewald Summation of Electrostatics at Planar Interfaces

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