etomica

Principal Investigator
Dr. David A. Kofke
University at Buffalo
Department of Chemical and Biological Engineering
510 Furnas Hall
Buffalo, NY 14260
(716)645-2911 ext. 2215
kofke@buffalo.edu

Primary Authors
The primary authors of Etomica are David Kofke and Andrew Schultz.

Dr. Andrew Schultz
University at Buffalo
Department of Chemical and Biological Engineering
514 Furnas Hall
Buffalo, NY 14260
(716)645-2911 ext. 2215
ajs42@buffalo.edu

Additional past and present contributors to Etomica

Post-docs:
Ken Benjamin

Software support:
Robert Rassler
University at Buffalo
Department of Chemical and Biological Engineering
511 Furnas Hall
Buffalo, NY 14260
(716)645-2911 ext. 2215
rrassler@buffalo.edu

Graduate Students:
C. Daniel Barnes, Bryan Mihalick, Jayant Singh, Sang-kyu Kwak, Jhumpa Adhikari, Di Wu, Nandou Lu, Nancy Cribbin, Tai Boon Tan, Mike Sellers

Ideas and advice have also been provided by molecular simulation researchers:
Dan Lacks (Case Western), Peter Cummings (Vanderbilt), Ed Maginn (Notre Dame), Dave Ford (UMass-Amherst), and Richard Rowley (Brigham Young).

Henrique Bucher has contributed to the Etomica integrated development environment. This IDE is built on Eclipse, and is not yet available for distribution.

Web site development
Andrew J. Schultz and Robert Rassler

Funding

This material is based on work supported by the National Science Foundation under grants CHE-0626305, DUE-0618521, and CBET-0276515. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the view of the National Science Foundation.

Additional support has been provided by IBM, through an Eclipse Innovation Grant, and by the University at Buffalo School of Engineering and Applied Sciences.

The Department of Chemical Engineering at the Colorado School of Mines facilitated discussions that led to the initiation of Etomica and fostered its development.

Technical assistance and computing resources are provided by the Center for Computational Research at the University at Buffalo.

Permission is granted to use Etomica and the other material on this site for your own academic research and instruction. All other rights are reserved. In particular, you may not use Etomica for any commercial purposes, nor may you redistribute it in any fashion. If these restrictions cause problems for you, and you wish to do more with this software now, please contact us.


Etomica is dedicated to the memory of Bryan Mihalick.

Department of Chemical Engineering | Center for Computational Research | University of Buffalo |
School of Engineering and Applied Sciences | Contact Etomica Support
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This material is based on work supported by the National Science Foundation and performed in the Chemical Engineering Department at the University of Buffalo.