⁍ Deva visited Prof. Seiji Mori in Ibaraki University and delivered a talk, April 27, 2026.
⁍ Anupama and Deva visited Prof. Masanori Tachikawa and delivered invited talks at the Workshop on Theoretical and Computational Chemistry in Yokohama City University, April 24/25, 2026.
⁍ Deva visited Prof. Akira Nakayama in the University of Tokyo and delivered a talk in the Graduate School of Engineering on April 21, 2026.
⁍ Our proposal with the main PI, Prof. Sharad Gupta at IITGn, submitted to the Department of Biotechnology under the Bio-AI program is funded.
⁍ We signed an MoU and initiated a project with Solix Technologies related to their AI Pharma efforts.
⁍ Deva visited Prof. Yasuteru Shigeta's group and delivered a talk in the Center for Computational Sciences, University of Tsukuba on April 8, 2026.
⁍ Athira Sasidharan, PhD student in the group, is visiting Prof. Norio Yoshida's group in Nagoya University for five months from March 2026 via the Lotus program of Japan Science and Technology (JST) Agency. She will contribute to a collaborative project protein engineering using diffusion models.
⁍ Deva visited Prof. Norio Yoshida's group delivered a talk in School of Informatics, Nagoya University on April 16, 2026.
⁍ In collaboration with NITI Aayog, we organized a workshop and brainstorming session on the Impact of Quantum Technologies in Life Sciences on March 23/24, 2026.
⁍ Anupama Sharma, postdoc in the group, is visiting Prof. Yasuteru Shigeta's group in the University of Tsukuba for one year from March 2026 via the Lotus program of Japan Science and Technology (JST) Agency. She will work on sweet peptide design using transformers.
⁍ In collaboration with NITI Aayog, we organized a workshop and brainstorming session on the Impact of Quantum Technologies in Life Sciences on March 23/24, 2026.
⁍ Two proposals, that our group is part of, submitted to Anusandhan National Research Foundation (ANRF) MAHA AI for Science and Engineering move to the next stage. One is on developing data/AI platform for democratizing AI in computational chemistry and another one is on developing an autonomous/self-driving lab in collaboration with researchers from robotics, IoT and agentic AI.
⁍ Anusandhan National Research Foundation (ANRF) Advanced Research Grant (ARG) on Modern AI/ML for developing pre-clinical candidates for cancer sanctioned - 03/2026 to 03/2029.
⁍ Pratibha Hegde joins our group as a postdoctoral fellow. She will be working on developing molecular property predictors and molecular generators using quantum machine learning.
⁍ Our proposal to Indian Council of Medical Research (ICMR) with Dr. Maitreya Maity as the PI is approved for funding.
⁍ We organized a Winter School on Machine Learning for Molecules and Materials (ML4Science) from Dec 14-21, 2026. 70 young researchers attended the intensive workshop that started at 9 AM everyday and went until midnight some days.
⁍ We organized the International conference on Modeling Chemical and Biological (Re)Activity from Dec 10-14. About 150 delegates participated.
⁍ Vishal and Biya attended the Hyderabad-Heidelberg Hub for Advanced Chemical Education (HHHACE) school in IIT Hyderabad from Feb 24-27, 2026. Deva gave a lecture on Generative AI.
⁍ Prof. Saeed Amirjalayer from the Interdisciplinary Center for Scientific Computing, Heidelberg University, visited our campus. During his visit he gave a talk on "Mechanistic insight into dynamic phenomena by multi-scale simulations".
⁍ Arjun and Ria presented posters, and Deva delivered a talk in ML4Science 2025 - February 2025.
⁍ Deva visited IMS Okazaki and initiated a collaborative project with Prof. Koichi Kato and Prof. Masahiro Ehara - January 2025.
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