The University of Tennessee The Department of Chemical Engineering

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Molecular Simulation Images from the Computational Materials Research Group

These animations are created from various molecular dynamics simulations and quantum calculations.   The JavaScript code JSMol is used to view and interact with these structures. Therefore, a modern browser capable of running JavaScript is required. In 2014, Eleanor Leffler updated these pages from Chime to JSMol.

Animations by Parag Adhangale, Weijing Dang and David Keffer. bulk diffusion of methane and ethane movie  (2003) bulk nitrogen  (1999) bulk carbon dioxide (electrostatic interactions handled using Ewald summations  (2000) bulk carbon dioxide (electrostatic interactions modeled as a simple Coulombic term truncated at half the box length  (2000) CURRENT WORK ANIMATION:   bulk butane (with bending potential and torsion potential)   (2000) bulk butane (with bending potential but no torsion potential)   (2000) bulk butane (with neither bending potential nor torsion potential)   (2000) bulk benzene   (2000) bulk argon  (1999)

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