Welcome to the Computational Materials Engineering group. We apply multiscale materials simulation methods to understand the structure-property correlations of functional ceramics, specially for sustainable energy applications. We are also slowly developing our interest in the field of materials informatics, where we want to apply machine learning based methods to discover novel functional ceramics for targeted applications. Grain boundary segregation, surface adsorption, defect migration are some of the topics of our research interest.
News and Events
July 2023: Former alumni of the lab, Ashwin Deepa will be starting his PhD position at IMEC, Belgium after successfully completing his masters from KU Leuven.
July, 2023: Proceedings of the 3rd internal conference on Advances in Materials and Processing: Challenges and Opportunities (AMPCO-2022) published by Springer Nature, edited by Prof. Abhishek Tewari.
July, 2023: Prof. Abhishek Tewari received award for a short research trip to Paris Sciences et Lettres University, France from French Indian Institute and Embassy of France in India.
February, 2023: CMEG received SERB Core Research Grant for the study of functionally graded ZnO ceramics for thermoelectric applications.
RECENT ARTICLES
P. Bhatt et al. A review on computational modeling of instability and degradation issues of halide perovskite photovoltaic materials. WIREs Computational Molecular Science. (2023). https://doi.org/10.1002/wcms.1677.
P. Bhatt et al. Long-range binding of defect clusters leads to suppressed ion mobility in Cs-doped methylammonium lead iodide. ACS Applied Energy Materials. (2023). https://doi.org/10.1021/acsaem.3c00659.
OPENINGS
There are no open positions currently.