"...It therefore becomes desirable that approximate practical methods of applying quantum mechanics should be developed, which can lead to an explanation of the main features of complex atomic systems without too much computation" - Paul Dirac 1929

Welcome to our website! We are the computational materials physics group at the University of Michigan, Ann Arbor. We are part of the Mechanical Engineering department at the University.

Research Focus

Our group aims to develop computational and mathematical techniques to address various aspects of materials behavior, which exhibit complexity and structure on varying length and time scales. Our work draws ideas from quantum mechanics, statistical mechanics and homogenization theories to create multi-scale models from fundamental principles, which provide insight into the complex behavior of materials.

Topics of research include developing multi-scale methods for density-functional theory (electronic structure) calculations at continuum scales, electronic structure studies on defects in materials, quasi-continuum method, analysis of approximation theories, numerical analysis, and quantum transport in materials. To find more details on past and ongoing research projects, please see the 'research' section of the site.


  • 04-28-2014: Ram defended his thesis. Congrats!

  • 04-25-2014: Phani won the 2014 Robert J. Melosh Medal. Congrats!

  • 04-08-2014: Mrinal defended his thesis. Congrats!

  • 01-17-2014: Bala defended his thesis. Congrats!

  • 09-01-2013: Sambit Das & Bikash Kanungo join the group. Welcome!

  • 03-01-2013: Phani Motamarri receives Rackham Predoctoral Fellowship. Congrats!

  • 02-01-2013: Vikram Gavini receives 2013 AFOSR YIP award.

  • 11-28-2012: Mrinal Iyer receives Rackham International Student Fellowship. Congrats!

  • 08-02-2012: Phani Motamarri invited to the IPAM Workshop on Materials Defects.

  • 07-05-2012: Janakiraman's work appears in JPC Letters.

  • 06-01-2012: Vikram Gavini receives Humboldt Research Fellowship (2012-2014).

  • 06-01-2011: Janakiraman's work appears in JACS.

  • 02-15-2011: Vikram Gavini receives 2011 NSF CAREER award.

  • 11-1-2010: Mrinal Iyer won the Alexander Azharkin Scholarship for 2010.