Talks and presentations

This video briefly describes the research that is going on in the CCMS group led by Dr. Yamijala Chaitanya Sharma, Department of Chemistry, IIT-Madras as of November 2021.

In this workshop lecture, Dr. Yamijala Chaitanya Sharma describes the recent work from the CCMS group on Cobalt Anti-MXenes. In this lecture, he explains the general steps that a computational chemist/materials scientist would go through to find whether a 2D material could be used as an anode material for a specific rechargeable battery or not. This work is published in the *Journal of Physical Chemistry C*. Please see the below links for accessing the full text of the article.

https://pubs.acs.org/doi/10.1021/acs.jpcc.2c02459

https://chemrxiv.org/engage/chemrxiv/article-details/62924e8be2ef7a7a40ef3fe8

In this short video, our CCMS group member, Mr. Kalpak Ghosh, describes how we can calculate the ground state energy of a few molecules on a real quantum computer (here, we used IBM's Qiskit to interact with their quantum computers). He also gave a brief introduction to Quantum Computing and Quantum Chemistry to enable the listeners to understand the topic. We are proud to announce that Kalpak did all this work for his M. Sc. project (i.e., while doing his course work). Congratulations, Kalpak! You did a great job! 

In this short video, Mr. Subhadeep Banerjee (a CCMS group member) describes his recent work on Cobalt Anti-MXenes. We showed that these materials are useful as anode materials for sodium-ion batteries. This work is published in the *Journal of Physical Chemistry C*. Please see the below links for accessing the full text of the article.

https://pubs.acs.org/doi/10.1021/acs.jpcc.2c02459

https://chemrxiv.org/engage/chemrxiv/article-details/62924e8be2ef7a7a40ef3fe8

A long version of the video is available at the link.