Vol. 53 No. 01 (2003): Volume 53 Number 01, May 2003
Articles

A Coarse Graining Approach in Molecular Simulations: Fuzzy Potentials

pdf
  • Şebnem Eşsiz,
  • Ersin Yurtsever
Şebnem Eşsiz
Department of Chemistry, Koc University
Ersin Yurtsever
Department of Chemistry, Koc University

Published 05/01/2003

Keywords

  • Molecular simulation,
  • coarse graining,
  • interaction potentials

How to Cite

Eşsiz, Şebnem, and Ersin Yurtsever. 2003. “A Coarse Graining Approach in Molecular Simulations: Fuzzy Potentials”. ITU ARI Bulletin of Istanbul Technical University 53 (01):25-28. https://ari.itu.edu.tr/index.php/ituari/article/view/17.

Copyright (c) 2003 ITU Press

Creative Commons License

This work is licensed under a Creative Commons Attribution-NoDerivatives 4.0 International License.

Abstract

A new representation for interaction potential functions is presented Unlike the orthodox approaches the potential function is not a fixed function in terms of internuclear coordinates but a probabilistic one which contains information over a wide range of angular degrees of freedom. It is shown that such approaches can provide practical solutions for bulk systems of high density.
pdf