Center for Multiscale Theory and Simulation


Providing transformative theoretical and computational methods relating the molecular scale to cellular processes

This NSF Center for Chemical Innovation (CCI) project is focused on developing a novel, systematic, and transformative scientific capability for the scientific community. The project will combine conceptual advances in statistical mechanics and condensed phase dynamics with computer simulation methodology and cyberinfrastructure.

Scientific Goals and Impacts

  • Develop a rigorous theoretical and computational methodology to describe biomolecular systems at multiple length and time scales
  • Couple the atomistic, coarse-grained, and mesoscopic scales in a multiscale fashion to reach the scales relevant to cellular biology
  • Develop and implement a novel cyberinfrastructure in the form of a computational workbench for scalable and distributed multiscale simulations
  • Apply the multiscale theoretical and simulation methods as a case study to eukaryotic actin-based networks and key associated proteins

Broader Impacts

  • Innovations in computational software will be disseminated publicly and implemented in the industrial setting through partnerships with pharmaceutical and biotechnology companies
  • An educational and training plan will involve co-mentoring, new undergraduate and graduate curricula, workshops to disseminate our scientific advances, and supplemental student/postdoc training
  • Broadening participation through research experiences for undergraduates from underrepresented groups and through partnerships with faculty from undergraduate institutions serving these groups
  • Public, educational, and corporate outreach will be carried out in partnership with the Chicago Council on Science and Technology

Research Sponsors

National Science FoundationThe University of Chicago

What is 'Multiscale Theory and Simulation'?

The Center for Multiscale Theory and Simulation (CMTS) is developing both theoretical and computational methods that can be used to couple atomistic, coarse-grained and mesoscopic level descriptions of complex biological, and many other soft matter systems, in order to describe a variety of phenomena. To learn more about the research at the CMTS, please visit our research page.

Please click video title above to expand.

See also, Prof. Gregory Voth's Chicago Council on Science and Technology Lecture, "Molecular Modeling: A Window to the Biochemical World"


2013 CMTS Student Fellowship Application Form

Tue, 04/30/2013 - 14:01 -- cllewis

The CMTS Student Fellowship Program provides funding for under-represented undergraduates and graduate students to attend the four day "Symposium on Coarse-graining and multiscale modeling in complex chemical systems". Successful applicants will be provided with a $1000 scholarship for travel. Please fill out every field of the application form. If a field is not applicable to you, please enter N/A.

2013 Multiscale Theory and Simulation Workshop Application Form

Sat, 12/01/2012 - 23:08 -- Anonymous (not verified)

Complete the form below to apply for the 2013 hands-on Multiscale Theory and Simulation Workshop to be held at the Searle Chemistry Laboratory in Chicago, Illinois, USA on June 17-19, 2013. Please fill in ALL the fields to ensure that the form is submitted successfully, if a field does not apply to you, please enter N/A. To assure full consideration, submit application by February 1, 2013. For questions, please email