"...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. Photo from Fall 2013 (Front from left: Mrinal Iyer, Phani Motamarri, Sambit Das, Balachandran Radhakrishnan; Back from left: Janakiraman Balachandran, Bikash Kanungo, Vikram Gavini)

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.


  • 09-01-2015: Chih-Chuen (Ian) Lin and Nelson Rufus join group. Welcome!

  • 04-01-2015: Phani joins the research facutly at UM as Assistant Research Scientist in ME.

  • 09-16-2014: Phani defends his thesis. Congrats!

  • 04-28-2014: Ram defends his thesis. Congrats! Joins ORNL.

  • 04-07-2014: Mrinal defends his thesis. Congrats! Joins Intel.

  • 05-01-2014: Phani Motamarri receives the 2014 Robert J. Melosh Medal. Congrats!

  • 01-17-2014: Bala defends his thesis. Congrats! Joins UCSD as a post-doc.

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

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