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The Abstracts for Various Sessions are available.
Session 1: Multiscale Simulations of Materials
Session 1: Multiscale Simulations of Materials
Chair: Prof. Abhijit Chatterjee
Construction of kinetic network models for solid state materials and their interfaces
Invited Talk:
Dr. Rajesh Sathiyanarayanan
Exploration and Refinement of Semiconductor Processes: Role of Molecular Simulations
Invited Talk:
Dr. Sk. Musharaf Ali
Aqueous Metal Ion trapping by Graphene Nanosheets Appended Crown Pores
Session 2: Computational Material Science
Session 2: Computational Material Science
Chair: Prof. Ateeque Malani
Probing Synthesis of Porous Materials Using Molecular Simulations
Invited Talk:
Prof. Raghavan B. Sunoj
Molecular Catalysis using DFT Methods
Invited Talk:
Dr. Foram Thakkar
Molecular simulation study of carbon molecular sieving membranes
Session 3: Real-World Applications of Molecular Simulations
Session 3: Real-World Applications of Molecular Simulations
Chair: Prof. Jhumpa Adhikari
Molecular Simulation Study of the Phase Behaviour of Mixtures of Molecular Fluids
Invited Talk:
Prof. Jayant Singh
Invited Talk:
Mr. Rakesh Gupta
Session 4: Molecular Simulation of Polymeric Systems
Session 4: Molecular Simulation of Polymeric Systems
Chair: Prof. Mukta Tripathy
Phase separation in polymer-nanorod composites
Invited Talk:
Prof. Tarak Patra
Mixing of polymer blends via reversible dynamic covalent crosslinking
Invited Talk:
Prof. Upendra Natarajan
Session 5: Computational Catalysis for CO2 Utilization and Beyond: Multi-Scale Modelling Techniques
Session 5: Computational Catalysis for CO2 Utilization and Beyond: Multi-Scale Modelling Techniques
Chair: Prof. Ojus Mohan
Computational Catalysis for Sustainability: Fuels from CO2 and methane
Invited Talk:
Prof. Jithin J. Varghese
Prof. Jithin J. Varghese
Invited Talk:
Dr. Sandhya Rai
Carbon Capture and Utilization: The role of computational chemistry
Session 6: Biomolecular Simulations in understanding disease
Session 6: Biomolecular Simulations in understanding disease
Chair: Prof. Swati Bhattacharya
Uncovering allostery and regulation in proteins using molecular simulations
Invited Talk:
Prof. Nishanth Nair
Prof. Nishanth Nair
Exploring Rugged Energy Landscapes of Chemical Reactions
Invited Talk:
Prof. Ajay Panwar
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