My portfolio


Postdoctoral Researcher

Department of Electrical Engineering and Automation at Aalto University in Espoo, Finland

SEP 2017 - AUG 2019

Postdoctoral Researcher

Materials Modelling and Devices Group at the Tyndall National Institute, Cork, Ireland

SEP 2013 - MAY 2017

Doctor of Philosophy (computational chemistry)

RUB - Germany

THESIS: Computer simulations of copper-water interface

SEP 2012 - NOV 2012

Intern in Ecole normale superieure - Paris

1. CPMD simulation on silver and chlorine ions in water - Quadrupole moments calculated using MLWF to confirm the presence of Ag(cl)2 complex by structure analysis and orientation of quadrupole moment tensor.

2. Developing potentials of Ions (Ca^2+ , Mg^2+) for an all atom polarizable and dissociable water force field using cp2k program package.

OCT 2011 - SEP 2013

M.Sc in Molecular Science and Simulation

Molecular Science and Simulation at Ruhr Universitat Bochum (RUB - Germany)

THESIS: Neural network potential for protonated water clusters

SEP 2009 - OCT 2011

Mahindra and Mahindra Automotive sector - India

JULY 2005 - MAY 2009

Bachelor Of Engineering in Mechanical

Government College Of Technology - Coimbatore (Autonomous Institution Affiliated to Anna University - Chennai)

THESIS: Genetic algorithm Vs Particle swarm Optimization Algorithm (in speed and accuracy)


Atomic layer etching, Surface science, Molecular dynamics, forcefield generation, scientific programming


Please refer to the following google scholar link: Publication List