Ashutosh Verma

Ashutosh Verma is a PhD student in Chemical Engineering at Oklahoma State University. He received his bachelor's in Chemical Engineering from the Indian Institute of Technology (IIT), Madras, Chennai in 2016. His graduate degrees include an MTech in Chemical Engineering from the IIT Madras and an MTech Research in Chemical Engineering from the Indian Institute of Science (IISc), Bangalore. His research interests include molecular modeling and simulations coupled with density functional theory calculations and machine learning approaches for the discovery of novel ionic liquids and ionic liquid mixtures for high-performance battery electrolytes.

His research work at Oklahoma State University focused on the use of modeling and simulations to understand how ionic liquids can be harnessed for battery applications. By understanding polarization and charge transfer effects along with inter/intra-molecular interactions, he seeks to enable the development of better electrolytes for battery applications.

His research at the Indian Institute of Science (IISc), Bangalore, focused on understanding how atomic-scale defects and roughness affect the wetting and frictional properties of two-dimensional hexagonal boron nitride (hBN). He employed a combined first-principles and classical modeling approach to understand solid-liquids interfaces at nanoscale.

His research, conducted in collaboration with Bharat Bhushan Sharma at Gati Shakti Vishwavidhalaya (GSV), Vadodara, focused on understanding how pores and atomic scale defects influence the wetting, frictional properties, and water flow rates in two-dimensional (2D) nanomaterials. He used density functional theory (DFT) to calculate the charge distribution in porous 2D nanomaterials. This was followed by free energy calculations using classical molecular dynamics simulations to study the 2D nanomaterials-water interface. His findings have significant implications for optimizing water flow rates and enhancing the efficiency of desalination technologies.

Research Area

His research focuses on ionic liquid simulation, 2D materials, nanofluidics, desalination, membrane, surface and interfaces, nanotechnology, machine learning, molecular dynamic simulation, and density functional theory.