We use computational methods to design and investigate novel H_O_Stars-smallmaterials for a wide range of applications, including electronics, optoelectronics, energy conversion, efficiency, and storage. Most of our work centers on electronic structure, first-principles methods based on density functional theory.

The goal is to advance our understanding of how materials behave at the microscopic level, and how this is translated into macroscopic properties that can be probed experimentally and optimized for the various desired applications. Special emphasis is given to the combined effort of computer simulations and experiments in exploring novel materials and uncovering new physical phenomena.  More specifically we are interested in defects and doping of oxide and nitride semiconductors, complex oxides and their heterostructures, Heusler compounds, novel materials for photovoltaics, and two-dimensional (2D) layered materials.



Janotti Group is working off campus for the duration of Fall 2020 semester.


09/23/2020: Zhiqang (Jack) Zhang graduated with his doctoral degree form the Department of Physics and Astronomy. Congratulations Jack!

04/09/2020: Iflah Laraib awarded the Chairperson’s Outstanding Graduate Student award by the Department of Materials Science and Engineering at University of Delaware for her contributions to the department.

01/21/2020: Iflah Laraib awarded the APS Ovshinsky Travel Award for participation in the APS March Meeting 2020, talk abstract titled “A combined experimental and first principles study of small hole polarons in YTiO3 thin films”.

12/08/2019 – 12/13/2019: Iflah Laraib attended and presented at the workshop on “Polarons in the 21st Century” organized by the European Center for Atomic and Molecular Calculations (CECAM) at Erwin Schrodinger Institute of Mathematics and Physics in Vienna, Austria.

10/04/2019: Xuefen Cai from Beijing Computational Science Research Center joins Janotti Research group as a visiting scholar. Welcome Xuefen!

06/01/2019: Tianshi Wang and Abhishek Sharan graduated with their doctoral degrees from departments of Materials Science & Engineering and Physics & Astronomy respectively. Congratulations Tianshi and Abhishek!

03/04/2019: Janotti group attended “APS March Meeting” in Boston, MA.

11/25/2018: Janotti group attended “MRS Fall Meeting & Exhibit” in Boston, MA.

06/26/2018:  Janotti group predicts surface structure of advanced electronic materials.  Published in Science Advances (2018)

03/16/2018: Tianshi Wang and Abhishek Sharan received University Doctoral Fellowship for 2018-2019. 

03/05/2018: Janotti group attended “APS March meeting” in Los Angeles, CA.

01/16/2018: Felipe David Crasto de Lima, Visiting Scholar from Brazil, will be passing six months working with our group, Welcome!
11/10/2017: Congratulations to Shoaib for passing the Ph.D. candidacy exam!
08/03/2017: Tianshi’s article “Strong effect of electron-phonon interaction on the lattice thermal conductivity in 3C-SiC” was accepted in Physical Review Materials. Congratulations!
07/31/2017 – 08/12/2017: Wei Li and Tianshi Wang participated the Hands-on Workshop Density-Functional Theory and Beyond organized by Fritz Haber Institute of the Max Planck Society.
07/28/2017: Abhishek’s article “Hybrid-functional calculations of the copper impurity in silicon” was accepted in Phys. Rev. Applied. Congratulations!
07/20/2017: Congratulations to Wei Li for passing the Ph.D. candidacy exam!
06/28/2017 – 06/30/2017: Abhishek and Shoaib presented on the 59th Electronic Materials Conference, South Bend, Indiana.
05/18/2017: Janotti group attended Workshop on the SCAN density functional: Fundamental s, Practices, and Extensions at Temple University.
05/05/2017: Tianshi’s article “Band alignment and p-type doping of ZnSnN2” was accepted in Physical Review B. Congratulations!
03/30/2017: Dr. Fernando Sabino joins Janotti group. Welcome!
03/17/2017: Janotti group presents research at APS march meeting, 2017.
01/30/2017: Prof. Anderson Janotti has won a NSF Faculty Early Career Development Award! Congratulations!
12/01/2016: Prof. Anderson Janotti was elected APS fellow, Division of Materials Physics, for outstanding contributions to defect physics and doping in semiconductors.