CoMSEF is a forum for the combined community of engineers and scientists who are developing and applying molecularly based theories, modeling, and simulation. Its scope of technical interests includes chemical, biological, and materials processes and products. A key feature is joining molecularly based modeling with the other computational methodologies that are used in the chemical engineering sciences for research, development, operations, and education.

Election 2015

The candidates for Liaison Director are:
  • Vanessa Ortiz (link)
  • Rob Riggleman (link)
  • Lisa Hall (link)
  • Giannis Mpourmpakis (link)
  • Rachel Getman (link)
  • Johannes Hachmann (link)
The Liaison Directors:
  • Facilitate programming with other organizations by identifying opportunities for co-sponsorship
  • Communicate and advocate CoMSEF activities with other organizations.
  • As members of the Executive Committee, aid the other officers in developing and carrying out CoMSEF activities and preparing the CoMSEF newsletter.

Kayla Sprenger wins 2015 CoMSEF Conference Presentation Award

Congratulations to Kayla Sprenger of the University of Washington (Advisor: Jim Pfaendtner) who won the 2015 CoMSEF Conference Presentation Award for her poster presentation "Obtaining Thermodynamic and Structural Information of Surface-Bound Biomolecules from Biased Simulations" at FOMMS 2015 (

The CoMSEF Conference Presentation Award recognizes excellence in research by undergraduate students, graduate students and/or postdoctoral researchers. The intent of the award is to reward significant contributions to research in computational molecular science and engineering by young researchers. The award consists of an announcement for the presentation and a waived conference registration fee for the awardee.

Call for Nominations for CoMSEF Awards

Nominations for the CoMSEF awards are due in the coming weeks and months:

  • Conference Presentation Award: nominations due March 12, 2015 (extended to March 26, 2015)
  • Impact Award in Computational Molecular Science and Engineering: nominations due May 1, 2015
  • Young Investigator Award for Modeling and Simulation: nominations due May 1, 2015
  • Graduate Student Awards in Computational Molecular Science and Engineering: nominations due October 1, 2015
For more information about the awards, see the awards page (link).


Beckham Winner of 2014 CoMSEF Young Investigator Award

Dr. Gregg Beckham from the National Renewable Energy Laboratory's National Bioenergy Center is the winner of the 2014 CoMSEF Young Investigator Award. Gregg joined NREL in 20xx... With this award, Gregg is cited “...for elucidation of cellulose degradation mechanisms towards improved enzymes for biofuels and other renewable energy applications.” Gregg received his award during the CoMSEF Plenary Session at the 2014 AIChE Annual Meeting, where he also gave a talk titled “How the Walls Come Crumbling Down: Elucidating Mechanisms of Cellulose-Active Enzymes Using Molecular Simulation” describing his research.

The CoMSEF Young Investigator Award for Modeling and Simulation is awarded annually to a member of CoMSEF who is within 7 years of completion of their highest degree in the year of the award.

McCabe Winner of 2014 CoMSEF Impact Award

Professor Clare McCabe from the Vanderbilt University is the winner of the 2014 CoMSEF Impact Award, which cites her "...development of practical molecular equations of state for simulating thermophysical properties of fluids and novel coarse-grained simulation models for biomedical applications."
Clare received her award during the CoMSEF Plenary Session at the 2014 AIChE Annual Meeting, where she also gave a talk titled “Understanding the Self-Assembly of Skin Lipids” describing her research.
The CoMSEF Impact Award is given annually to a CoMSEF member who is within 15 years of completion of their highest degree.