"...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 2019 (Front from left: Paavai Pari, Vikram Gavini, Nelson Rufus, Phani Motamarri; Back from left: Ian Lin, Krishnendu Ghosh, Nathan Vaughn, Bikash Kanungo)

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 develop multi-scale models from first-principles, which provide insights into the complex behavior of materials.


  • 11-16-2023: Our team won the 2023 ACM Gordon Bell prize

  • 01-01-2023: Avirup Sircar and Arghadwip Paul join the group. Welcome!

  • 01-10-2022: Ian Lin defends thesis! Congrats Dr. Lin!! [Thesis]

  • 09-07-2021: Nelson Rufus defends thesis! Congrats Dr. Rufus!! [Thesis]

  • 06-15-2020: Nathan Vaughn defends thesis! Congrats Dr. Vaughn!! [Thesis]

  • 01-01-2018: Vishal Subramanian joins group. Welcome!

  • 12-01-2019: Phani Motamarri joins Indian Institute of Science as an Assistant Professor.

  • 11-20-2019: Our team presented as a Finalist for the 2019 ACM Gordon Bell prize

  • 09-10-2019: Sambit Das defends thesis! Congrats Dr. Das!! [Thesis]

  • 09-03-2019: Bikash Kanungo defends thesis! Congrats Dr. Kanungo!! [Thesis]

  • 08-04-2018: We have announced the open-source beta release of DFT-FE code, which has been under developement for almost three years in the group.