About us


Sadananadam Namsani

Ph.D, Chemical Engineering, Indian Institute of Technology Kanpur, India (2010-2017)

Research Areas: Multi scale molecular modelling, force-field development, Biomolecules, metal-organic frameworks

Past experience: Research Associate, University College London, Reliance R&D

Chandan Kumar Choudhury

Ph.D, Chemistry, National Chemical Laboratory, (AcSIR) Pune

Research Areas: Computational Soft Matter, High Performance Computing, Coder/developer, Computational Biology, Molecular Modelling , Force Field Developer

Past experience: Postdoctoral fellow, Clemson University, Clemson, USA

Mohd. Aamir Khan

Ph.D, Computer Science, GLA University, Mathura, India

Research Areas: Information Retrieval, Data Mining, Machine learning and Image Processing

Jasjit Singh

B.Tech, Computer Science, GTU, Ahmedabad, India

Areas: Front End, Developer, Machine learning

Boyli Ghosh

PhD candidate, Indian Institute of Cultivation Science, Kolkata, India

Areas: Quantum Chemistry, Homogenous and Heterogenous Chemical Reactions, Molecular Modelling, Automation

Debabrata Pramanik

Ph.D, Physics, Indian Institute of Science, Bangalore, India

Research Areas: Multi scale molecular modelling, protein-DNA and protein-ligand systems, soft bio-molecular systems

Past experience: Postdoctoral fellow, University of Maryland, College Park, postdoctoral fellow, Indian Institute of Science, Bangalore, India

Amit Kumawat

Ph.D, Chemistry, National Chemical Laboratory, (AcSIR) Pune

Research Areas: Bioinformatic, Biophysics, Computational Biology, Molecular Modelling


Jayant Kumar Singh

Google Scholar link

Current Position: Founder and Director, Prescience InSilico Private Limited, Bangalore, India; Professor (Chem. Eng.) Indian Institute of Technology Kanpur, India,

Research Areas: Multiscale Modelling and Simulation, Chemical Engineering, Soft Matter, Biophysics and Bimolecular Systems

Past experience: Research Scientist, General Motors India Science Laboratory; Ph.D., Chemical Engineering, University at Buffalo, The State University of New York, B.Tech IIT Kanpur.

Prof. Jayant Singh received his B.Tech in chemical engineering from IIT Kanpur in 1997. He subsequently completed his M.S. degree in computer science and engineering, in 2002, and Ph.D. in chemical engineering, in 2004, in the area of molecular simulation from SUNY Buffalo, USA. He joined the department of Chemical Engineering at IIT Kanpur in 2005 after one-year stint in General Motors R&D. Currently, he holds Mr. and Mrs. Gian Singh Bindra Chair Professor in the department of Chemical Engineering at IIT Kanpur. He also holds the position of Dean of Resources and Alumni at IIT Kanpur. Prof. Singh has provided significant insights into the phase equilibria and interfacial behavior of bulk fluids and fluids confined in nanopores using statistical mechanics and molecular simulations.

Dr. Singh 's current research interest is in material modeling, machine learning, self-assembly, nucleation, energy storage, wetting transition, and selective adsorption. Dr. Singh has co- authored over 135 peer reviewed articles and holds 1 US and 2 Indian Patents. He recently co-founded Prescience Insilico which specializes in AI augmented drug and material development.

He is a recipient of prestigious awards such as SERB-STAR Award, JSPS Invitation Fellowship, Alexander von Humboldt Research Fellowship, Young Engineers of Indian National Academy of Engineering, Amar Dye Chem Award of IIChE, BRNS Young Scientist Award and DST-BOYSCAST Fellowship. He is also an elected member of National Academy of Science, India.

Dr. Singh has guided 13 PhDs and 24 Masters and 10 post-doctoral students. Dr. Singh is currently an associate editor of the journal of Chemical Engineering Communications (T&F), and also serves on the advisory board of ACS Chemical Engineering Data and ACS Omega, and editorial board of Fluid Phase Equilbria.

Sudip Roy

Google Scholar Link

Current Position: Co-Founder, Prescience InSilico Private Limited, Bangalore, India

Research areas: Computational chemistry, biology and materials science; Oncology, drug delivery system modelling, simulation tool, force field development, multi scale simulation method development and application

Past experiences: Associate Vice President R&D Akamara Biomedicine (Invictus Oncology) Pvt. Ltd.; Senior scientist at Royal Dutch Shell; Faculty at National Chemical Laboratory, Pune; Post Doctoral Fellow at TU Darmstadt, Germany (2005-2008); PhD from University of Saarland, Germany (2000-2005)

Dr. Sudip Roy has 18 years of experience in research, science and innovation. He has worked in the oil and gas, energy and pharmaceutical sectors in research and development for computational chemistry, biology and materials science. He started his career as an academician and worked as a scientist at the CSIR- National Chemical Laboratory in Pune where he led and guided a group of PhD students and worked on several industrial and government-funded projects in computational chemistry.

Dr. Roy is co-founder of Prescience Insilico Pvt Ltd and working in the development of Artificial Intelligence (AI)/Machine Learning (ML)-based methodologies for highly selective drug screening and materials modeling. Dr. Roy obtained his PhD in chemical sciences from the University of Saarland in Germany followed by post-doctoral work at Technical University Darmstadt, Germany. He is a Chevening fellow 2019 and studied management of research, science, and innovation from the University of Oxford, UK.

Dr. Roy has supervised 7 PhDs and 5 Masters and 3 post-doctoral students. Dr. Roy has published more than 60 paper in international peer reviewed journals , 3 patents and been advisor to multiple national and multi-national companies in materials, rubber, and pharmaceutical sectors.


Sudip Roy

Co-founder and Advisor

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