Our focus is on the understanding and development of new materials for energy, environment and health applications. We use ab-initio methods, Monte Carlo and Molecular dynamics methods, Coarse-grain molecular dynamics and Brownian Dynamics to predicts properties of varied class of materials viz., nanoclusters, fluids, solids, metals, polymers. The properties of interests are: interfacial properties, phase diagrams (VLE,LLE,SLE), dynamical,electronic, thermal properties and rheological properties.
Workshop on fundamentals of molecular simulations which will focus on fundamental concepts of molecular simulations and its applications in solving a wide range of engineering problems.
Symposium (21-23 Feb 2020)Molecular Simulations of Complex Fluids and Interfaces - Recent Advances and Challenges
Congratulations to Dr. Atanu K Metya
Dr. Atanu K Metya, alumnus of our group, has been selected for the post of Assistant Professor in the Department of Chemical Engineering at IIT Patna
Oct, 2019
Congratulations to Dr. Debdip Bhandary
Dr. Debdip Bhandary, alumnus of our group, has been selected for the post of Assistant Professor in the Department of Chemical Engineering at IIT (BHU) Varanasi
June, 2019
Congratulations to Dr. Parul Katiyar
Dr. Parul Katiyar, alumnus of our group, has been selected for the post of Assistant Professor in the Department of Chemical Engineering at MNNIT Allahbad!
May, 2019
Congratulations to Dr. Tarak Patra
Dr. Tarak Patra, alumnus of our group, has been selected for the post of Assistant Professor in the Department of Chemical Engineering at IIT Madras!
March 22, 2019