New Approaches and Machine learning Methods for Ab initio calculations (NAMMA 2023): Psi-K India Workshop

– 24–28 July 2023

The NAMMA 2023 workshop, organised jointly by IISc, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Bengaluru, and the Chatterjee Group-Centres of Research and Education in Science and Technology (TCG-CREST), Kolkata was held in Bengaluru from 24–28 July 2023. This is the first such meeting organised in India, sponsored by the Psi-K European Network, augmented by generous support from various funding agencies such as the Kotak IISc AI-ML Centre at IISc, Sheikh Saqr Lab at JNCASR, Shell India Pvt Ltd, Netweb Technologies, Micropoint Computers, Gaussian Inc, apart from the three organizing institutes (IISc, JNCASR, Shell). 

The first two days of this five-day workshop were devoted to pedagogic level workshops with hands-on sessions covering the details of density-functional theory (DFT), density functional perturbation theory (DFPT) and AI/ML techniques used for materials discovery. There were four resource persons and about 60 participants. Three days were devoted to invited talks covering a wide canvas of DFT and AI/ML.

There were 60 speakers (from different parts of India, taking into account the geographical diversity as well as gender balance), six overseas speakers from Europe, USA and Israel, 30 outstation student participants, and 60 student participants from Bengaluru. The lectures in the workshop, as well as the talks at the conference, were streamed live to about 500 researchers, to reach as much of the Indian electronic structure community as possible.