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.

Faculty Award Reminder

Please be reminded that the deadline for the CoMSEF faculty award is July 1st. The nomination package, consisting of the nominee’s CV, a nomination letter and two supporting letters of recommendation, should be sent as a single file in pdf format to the CoMSEF Chair, Clare McCabe ( c.mccabe@vanderbilt.edu ). Please note self-nominations are discouraged.

Full details of the award can be found on the CoMSEF web page at: http://comsef.org/comsef-early-career-award

FOMMS 2009

There's still time to make plans to attend FOMMS 2009: Foundations for Innovation which will be held July 12-16, 2009 at the beautiful and relaxing Semiahmoo Resort in Blaine, WA. In addition to outstanding lectures and discussion on a range of topics in molecular modeling and simulation, the conference will include a mini-workshop on open source code development for molecular simulation, tutorial sessions on massively manycore chip architectures and GPUs for scientific simulation, and a special, inaugural FOMMS Medal banquet.

For more info, see the FOMMS web site: http://fomms.org/

Free CoMSEF Membership for Students

AIChE's ScaleUp program provides complimentary AIChE student membership for interested U.S. undergraduate students.  This is a new AIChE initiative and is designed to facilitate the relationship between undergraduate students, industry and AIChE. ScaleUp is made possible by sponsorship from BP, Rohm & Haas, DuPont, Praxair, Merck, Dow and UOP. As part of this program COMSEF is pleased to announce that it will offer free membership to undergraduate students, so please enourage any undergraduates that you may have working with you to get involved! 

2008 Annual Meeting Minutes

The minutes from the CoMSEF planning meeting at the AIChE annual meeting in Philadelphia are available here: link.

Congratulations to the 2008 CoMSEF Graduate Student Award winners

Congratulations to the 2008 CoMSEF Graduate Student Award winners:

Rachel Getman, University of Notre Dame (link)
Advisor: Bill Schneider

Jeremy Purvis, University of Pennsylvania (link)
Advisor: Scott Diamond

Thermodynamics 2009

September 23-25, 2009 @ Imperial College London, U.K.

First Announcement

On behalf of the organizing committee, I am pleased to announce the "Thermodynamics 2009" conference. The 21st meeting of this series will be held at Imperial College London from Wednesday 23rd to Friday 25th September 2009.

Thermodynamics 2009 will focus on innovative approaches for better understanding the relationship between the atomic structure of materials and their macroscopic properties. For this purpose, molecular simulation, classical thermodynamic approaches (equations of state) and experimental tools will be considered with equal balance.

The conference will feature the 2009 Lennard-Jones Lecture and Prize awarded this year to Prof. Dr. Kurt Binder by the Statistical Mechanics and Thermodynamics Group of the Royal Society of Chemistry, UK. Other confirmed lectures include:

  • Peter Bolhius
  • Norman Carnahan
  • Michael Cates
  • Charles Knobler
  • Lev Gelb
  • Keith Gubbins
  • Laurent Pitre
  • Doros Theodorou
  • Carsten Tschierske
  • Alfons von Blaaderen.

In addition, the Christopher Wormald Prize will be awarded to a research student nominated by members of the community. The winner will receive a cash prize and be given the opportunity to present an oral contribution at the conference.

We encourage you to refer to the conference web page : www.thermodynamics2009.org which is regularly updated and to an consider oral or poster presentation in line with one of the topics proposed:

  • Statistical thermodynamics
  • Molecular simulation of soft matter and complex fluids
  • Thermodynamic modelling and equations of state
  • Phase diagrams and supercritical fluids
  • Experimental thermodynamics

Should you have any question, or if you wish to be added/removed from the mailing list, please feel free to contact me.

Kindest regards,

Erich A. Müller, Chair
Thermodynamics 2009
e-mail: chair@thermodynamics2009.org (click the ... to access the address)
Tel: +44(0)20 7594 1569
fax: +44(0)20 7594 5700

2008 CoMSEF Graduate Student Awards

Reminder: Nominations for the 2008 CoMSEF Graduate Student Awards are due by October 1, 2008, to Randy Snurr (snurr@northwestern.edu) (click the ... and fill in the captcha to access the address).

AIChE's Computational Molecular Science and Engineering Forum (CoMSEF) is soliciting nominations for its 2008 graduate student awards recognizing excellence in research by graduate students. The intent of the awards is to reward significant contributions to research in computational molecular science and engineering by students. The award consists of a plaque and an honorarium.  Two awards are given annually. The 2008 awards will be presented at the AIChE Annual Meeting in Philadelphia.

Nominations should consist of a nominating letter from the student's research advisor and the curriculum vitae of the nominee.  These should be sent by the advisor via e-mail in pdf format to the CoMSEF Chair, Randy Snurr (snurr@northwestern.edu), by October 1, 2008. Note that the nomination letter and CV are required and are important parts of the nomination; this is not just a poster competition.

In addition, nominees must present a poster at the CoMSEF Poster session.  The nominee must be a graduate student at the time of the poster presentation, and the faculty nominator must be a member of CoMSEF.

Nominations will be selected by a committee composed of CoMSEF officers based on the student's CV, the nomination letter from the advisor, and the quality of the poster presentation.

FOMMS 2009

*************SAVE THE DATE*************************

The FOMMS 2009 Conference will be held July 12-16, 2009 at the beautiful and relaxing Semiahmoo Resort in Blaine, WA. In addition to outstanding lectures and discussion on a range of topics in molecular modeling and simulation, the conference will include a mini-workshop on open source code development for molecular simulation, tutorial sessions on massively multicore chip architectures and GPUs for scientific simulation, and a special, inaugural FOMMS Award banquet.

Stay tuned for program and registration details.

Meeting Minutes November 2007

The CoMSEF/ Area 01a meeting at the AIChE annual meeting took place on Wednesday at 6:15pm in room 155F of the Salt Palace Convention Center.

Area 1a Reports

2007 Graduate Student Awards in Computational Molecular Science and Engineering

Congratulations to the 2007 CoMSEF Graduate Student Award winners:

Chethan Acharya, University of Alabama
Advisor: C. Heath Turner

Harish Vashisth, Drexel University
Advisor: Cameron Abrams