Professor, IIIT Hyderabad
Room A3-308 Vindhya Building
Center for Computational Natural Sciences and Bioinformatics
IIIT Hyderabad
Email: deva@iiit.ac.in
Phone: 091 40 6653 1161
⦿ PhD (Chemistry), Pondicherry University/IICT Hyderabad - 2004
⦿ MSc (Chemical Sciences), Pondicherry University - 1999
⦿ BSc (Chemistry), University of Madras (St. Joseph's College, Cuddalore) - 1997
Regular Positions:
⦿ Dean (Research & Development), IIIT Hyderabad - 2025 onwards
⦿ Professor, IIIT Hyderabad - 2020 onwards
⦿ Project Director, IHub-Data, IIIT Hyderabad - 2020-25
⦿ Head, Center for Computational Natural Sciences and Bioinformatics, IIIT Hyderabad - 2013-25
⦿ Associate Professor, IIIT Hyderabad - 2008-12
⦿ Assistant Professor, IIIT Hyderabad - 2008-12
⦿ Postdoctoral Fellow, University of Maryland Baltimore - 2004-08
Others:
⦿ Program Director, Amgen Scholars Program, IIIT Hyderabad - 2026 onwards
⦿ Editorial Advisory Board, Journal of Computational Chemistry - 2025 onwards
Visiting Positions:
⦿ Visiting Professor, University of Tsukuba - 04/2026
⦿ Visiting Professor, Nagoya University - 04/2026
⦿ Visiting Professor, Institute of Molecular Science Okazaki - 04-06, 12/2025; 01/2026
⦿ Visiting Associate Professor, Institute of Molecular Science Okazaki - 04/2019
⦿ Visiting Associate Professor, University of Strathclyde - 04/2018
⦿ JSPS Invitation Fellow, Institute of Molecular Science Okazaki - 04-05/2016
⦿ Visiting Assistant Professor, Institute of Molecular Science Okazaki - 05-07/2014
⦿ Postdoctoral Fellow, University of Maryland Baltimore - 2004-08
⦿ Chemical Research Society of India (CRSI) Medal (2021)
⦿ Google Impact Scholar Award for AI for Social Good (2021)
⦿ Indian National Science Academy – Royal Society of Edinburgh Award for Bilateral Exchange (2018)
⦿ Distinguished Lecture Award from the Chemical Society of Japan (CSJ) (2016)
⦿ JSPS invitation fellowship (2016)
⦿ Indian National Science Academy (INSA) Young Scientist Medal in Chemical Sciences (2011)
⦿ Young Associate of the Indian Academy of Sciences (2011-2014)
⦿ Innovative Young Biotechnologist Award from Department of Biotechnology (IYBA-2010)
⦿ AICTE Career Award for Young Teachers (2010)
⦿ Department of Atomic Energy (DAE), Young Scientist Research Award (2009)
⦿ DST-DFG award to participate in the “Meeting of Nobel laureates and young researchers/students”, held in Lindau, Germany (2002)
⦿ University Gold Medal for academic excellence in MPhil (2000)
⦿ H.C. Kothari, and University Gold Medals for academic excellence in MSc (1999)
⦿ Qualified GATE with 99.85 percentile (All India III rank - 1999)
⦿ Ibaraki University, Apr 2026
⦿ University of Tokyo, Apr 2026
⦿ Yokohama City University, Apr 2026
⦿ University of Tsukuba, Apr 2026
⦿ Nagoya University, Apr 2026
⦿ Spectroscopy and Dynamics of Molecules and Clusters (SDMC) 2026, Feb 2026
⦿ Pure and Applied Chemistry International Conference 2026, Naresuan University, Feb 2026
⦿ International Conference on Distributed Computing and Intelligent Technology, KIIT, Feb 2026
⦿ Asia Biophysics Symposium, Hong Kong University of Science and Technology, Jan 2026
⦿ NeuroAI Conclave 2026: AI in Neuroscience and Neurodegenerative Diseases, IITGn, Jan 2026
⦿ Theoretical Chemistry Symposium (TCS) 2026, IIT Bombay, Dec 2025
⦿ Indo-French Workshop on Navigating rugged landscapes: Machine learning approach to dynamics and enhanced sampling in disordered systems, and statistical physics approaches to machine learning, JNCASR, Nov 2025
⦿ Structure and Dynamics of Chemical Systems, Pondicherry, Oct 2025
⦿ International Symposium on AI in Pharmaceutical Medicine, IIT Madras, Sep 2025
⦿ Workshop on Machine Learning for Computational Chemistry, SRM Chennai, Jul 2025
⦿ Conference of the Asia-Pacific Association of Theoretical and Computational Chemists (APATCC11), Kobe, Apr 2025
⦿ Gordon Research Conference on Chemical and Biological Defense, Ventura, Mar 2025
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⦿ Workshop on Impact of Quantum Technologies in Life Sciences - Mar 23-24, 2026
⦿ ML4Science - Winter School on Artificial Intelligence/ Machine Learning for (Bio)Molecules and Materials - Dec 14-20, 2025
⦿ International Conference on Modeling Chemical and Biological (Re)Activity (MCBR) - Dec 11-14, 2025
⦿ ML4Science - Discussion Meeting on Machine Learning for Molecular Sciences – Mar 09 -12, 2023
⦿ Spectroscopy and Dynamics of Molecules and Clusters (SDMC) – Nov 10-Dec13, 2022
⦿ Course on Machine Learning for Chemistry and Drug Design – Jun-Aug, 2022
⦿ ML4Science - Symposium and workshop on Machine Learning for Science – Nov 29-Dec 01, 2019
⦿ Indo-German Workshop on Computing in Chemistry, Biology and Medicine – Nov 29-30, 2017
⦿ Theoretical Chemistry Symposium (TCS) – Dec 14-17, 2016
⦿ International Workshop on Structure Based Drug Designing and Application to Infectious Diseases – Feb 1-5, 2016
⦿ International Conference on Chemistry with Computers – Jan 18-19, 2014
⦿ Winter School on Modeling Chemical and Biological (Re)Activity (MCBR) – Jan 2-22, 2014