Symposium on “Materials and Computational Chemistry Applications on HPC platform” (12-13 October 2023)


Thursday, October 12, 2023 to Friday, October 13, 2023

Symposium on “Materials and Computational Chemistry Applications on HPC platform” (12-13 October 2023)

Organized by Materials and Computational Chemistry sub-group (NSM - Applications)

Computational Material Science in the era of next-generation computing requires consolidated efforts from scientific application developers with researchers for a fruitful outcome in terms of software development and path-breaking discovery. Together, we hope to understand the resource requirements for future systems for different classes of applications in the material science domain. These inputs would help immensely in the design of systems with a gradation of computing power. Further, we will identify our partners, gather like-minded researchers in focus areas, organize ourselves into working groups/collaborations, and collectively work towards national requirements. We have a two-day symposium on the follow-up to NSM. We will have four sessions with six invited talks in each session during these two days

The speakers are from the Computational Material Science community working in Ab initio electronic structure calculations, Density functional theory, coupled cluster methods, Phase field modelling, ICME, crystal plasticity modelling, and other related areas. We shall have experimentalists among the speakers who will make the sessions enriching and help us identifying focus areas under functional materials.


Prof. Shridhar Gadre (SSPU)
Prof. Debashree Ghosh (IACS, Kolkatha)
Prof. Varadarajan Srinivasan (IISER, Bhopal)
Prof. Sebastian Wuster (IISER Bhopal)
Prof. Nishanth Nair, (IIT, Kanpur)
Dr. Vaishali Shah (SPPU)
Dr. Kavita Joshi (NCL, Pune)
Prof. Ashna Bajpai (IISER, Pune)
Prof. Prasenjit Ghosh (IISER, Pune)
Prof. Abhik N. Choudhury (IISc, Bangalore)
Prof. Alankar Alankar (IIT, Bombay)
Prof. Anirban Patra (IIT, Bombay)
Prof. Sameer Sapra (IIT, Delhi)
Prof. Abhijit Chatterjee (IIT, Bombay)
Prof. Gandham Phanikumar (IIT, Madras)
Dr. Srinivasa Prasanna (TCG, Crest, Kolkatha)

Prof. Shyamprasad Karagadde (IIT, Bombay) [To be confirmed]
Prof. Jayant Singh (IIT, Kanpur) [To be confirmed]
Prof. Madhav Ranganathan, (IIT, Kanpur) [To be confirmed]

Symposium Chairs

Prof. S. Balasubramanian (JNCASR)
Prof. T. A. Abhinandanan (IISc, Bangalore)
Prof. Shobana Narasimhan (JNCASR) [To be confirmed]


C-DAC, Pune
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