Students

Kompella V K Srinath pursuing Ph.D.

I did my Integrated Masters in Physics from the University of Hyderabad. My research involves modeling systems that undergo supramolecular self-assembly employing electronic level quantum chemical calculations and atomistic-level classical molecular dynamics simulations.

I am an avid follower of cricket and play the sport regularly. My hobbies include general reading, listening to Indian filmy music and singing the same. Besides, I enjoy playing Badminton, Table Tennis and Carrom.

(srinathv@jncasr.ac.in)

Oishika Jash pursuing Ph.D.

I did my B.Sc. and M.Sc. in Chemistry from Visva-Bharati, Santiniketan, West-Bengal. I am studying enzyme dynamics using molecular dynamics simulation.

(oishika@jncasr.ac.in)

Anjali Gaur pursuing Integrated Ph.D

I did B.Sc. in Chemistry from the Central University of Rajasthan. I study the reactivity of ionic liquids in chemical reactions using both ab-initio techniques and molecular dynamics.

(anjalig@jncasr.ac.in)

Srimayee Mukherji pursuing Ph.D.

Research interests - Transport and structural properties of alkali-ion battery electrolytes. Experience in force field refinement. Particular interest in high concentration electrolytes for safe and high energy density and high voltage batteries.

Hobbies - Indian and western classical music, Rabindra Sangeet. Reading detective novels and watching detective movies. Reading popular science articles and those related to human psychology, medicine, and history.

(srimayeem@jncasr.ac.in)

Avula Venkata Siva Nikhil pursuing Ph.D.

I work on molecular level modelling of ionic liquids and related materials. Specifically, I develop methods to improve the accuracy of existing models to quantitatively predict the transport properties. I enjoy developing efficient and parallel codes to run on both CPUs and GPUs. I graduated from the Metallurgical and Materials Engineering Department of IIT Madras with a B.Tech (Hons.) and M.Tech degree. Before I entered the field of molecular simulations, I was developing underwater and terrestrial semi-autonomous robots at IITM's Center For Innovation.

(nikhil@jncasr.ac.in)

Megha pursuing Ph.D.

I have done my bachelor's in Chemistry Hons. from Delhi University (Deen Dayal Upadhyaya College). I completed my Masters in Chemistry from IIT Delhi. My research would be studying the supramolecular self-assemblies using computational methods.

Nimish D pursuing Ph.D.

I work on atomistic modeling of gas and vapor adsorption in porous materials. Studying adsorption is essential for developing technologies to capture CO2/water from air and gas separation in industries. I employ force field-based and ab initio techniques in my simulations. I mainly use Molecular dynamics and grand canonical Monte Carlo methods in my studies. I like programming and scripting; I use them as much as I can in my work.

I hail from Mysuru, a beautiful city in southern India. I hold a master's degree from IIT Kanpur and a bachelor's degree from the University of Mysore, both in physics.

Disha Brahma pursuing Ph.D.

I did my BS-MS in Physics Major and Math Minor from IISER TVM. Currently, I look into the properties of battery electrolytes using various computational tools.
Hobbies: Painting, Reading, Table Tennis, Badminton, Roller skating

Sayantan Maity pursuing Ph.D.

I did my BS MS in physical sciences from IISER Kolkata. Currently I study supramolecular self assemblies using computational methods. 

Debendra Meher pursuing Ph.D.

I have done my B.Sc. with Physics honours from Gangadhar Meher University, Sambalpur, Odisha.

I have completed my M.Sc.(Physics) from S. N. Bose National Centre for Basic Sciences,  under University of Calcutta, Kolkata. I receive UGC JRF fellowship. I am studying CO₂ Adsorption of Molecule in MOF using Molecular Simulation methods and developing machine learning potentials for inorganic materials. I joined the group of Prof. Balasubramanian Sundaram, CPMU in August 2023.