Seminar/Conferences

"From the Schrödinger Equation to Machine Learning Interatomic Potentials" - my contribution to the webinar series celebrating 100 years of Schrodinger equation organized by Prof. Renjit Thomas from  the Centre for Theoretical and Computational Chemistry at St. Berchmans College (Mahatma Gandhi University, Changanassery, Kerala, India.

Link: Click here

Upcoming conferences/workshops

•  RNA dynamics from experimental and computational approaches, June 26, 2023 - June 28, 2023, CECAM-FR-MOSER, Paris, France

• Machine-learned potentials in molecular simulation: best practices and tutorials, July 5, 2023 - July 7, 2023, CECAM-AT, Vienna, Austria

Invited talks

• C𝝻MD - A Method for Simulating Concentration-driven Processes under Realistic Thermodynamic Conditions, STATISTICAL MECHANICS IN CHEMISTRY AND BIOLOGY (SMCB), Date and Time: 27th May, 2023 (Saturday); 3:30 PM (IST) 

Link: Click here

• Modelling monolayer protected atomically precise nanoclusters - self-assembly and interactions with biomolecules, Simplaix workshop on "ML for Multiscale Molecular Modelling" at HITS, Heidelberg University, Germany, 2-4 May, 2023

• Computational Microscope - A Powerful Tool for Chemistry, Materials, and Biology (invited talk)

organized by InSpace on 13 Nov 2021 | 03:00 PM

https://theinspace.site/events#View_more

• 'A constant chemical potential approach to solution crystallization' - Simulation of open systems in Chemistry, Pharma, Food Science and Immuno-diagnostics: Rare-event methods at constant chemical potentials including constant pH - an E-CAM Industry Scoping Work, CECAM-IRL, Ireland, Feb. 25 - March 25, 2021 (online)

• 'From equations to real-life applications - the role of computational microscope in materials and biology' 

India International Science Festival (IISF-20), New Delhi, India, 23 Dec. 2020 (online)

• 'Molecular dynamics simulations under realistic conditions - A constant chemical potential and enhanced sampling approach' at IIT Delhi, India, Feb. 2020

• 'Constant chemical potential molecular dynamics simulations of solution crystallization' at IIT Madras, January 2018

• International Conference on 'Biomolecular Simulations and Dynamics: Recent advances and Future Perspectives'. Department of Biotechnology, Indian Institute of Technology, Madras, 28-30 th November, 2013.

Past conference/workshops

• Local structure meets machine learning in soft matter systems, June 28, 2021 - July 01, 2021, Online event - hosted by CECAM-HQ

• ICTP-SISSA-CECAM Workshop on Molecular Dynamics and its Applications to Biological

    Systems (online), ICTP, Trieste, Italy, Sept. 21 - Sept. 25, 2020

• Open-source software for enhanced-sampling simulations, CECAM-Lugano, Lugano, Switzerland

July 22, 2019 – July 27, 2019

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• Building links between experiments and computer simulations of crystallisation, July 12-14, 2017, CECAM-HQ-EPFL, Lausanne, Switzerland

• 'VES' School at USI-Lugano, February 2017, Lugano, Switzerland

• CECAM Conference on ’Computational Advances in Drug Discovery (SBDD2015)’, EPFL, Lausanne,

Switzerland, 22-25 September 2015

• Conference on ’Biological Water’, 9-10 January, 2015

• MD@50 Conference at JNCASR, Bangalore, Aug 26-28, 2014

• ’A Tutorial on Gromacs’ by Prof. Erik Lindahl, 25th August, 2014, JNCASR, Bangalore.

• International symposium on ’Rare Sampling’ Kerala, May 29-31, 2014

• ’Biomolecules in Motion: Theory and Simulations’, Jawaharlal Nehru Univerisity, New Delhi, January 4-6, 2013

• INDO-US Symposium on ’Structure Dynamics and Mechanics of Biological Membranes’, Department of Chemical Engineering, Indian Institute of Science, Bangalore, December 29-31, 2012