Research Associate (Chemical Engineering) at IIT Kanpur Under DST Funded Project

Applications are invited for Research Associate (Chemical Engineering) Under DST Funded Project at IIT Kanpur. The last date of application is 15 August 2022.

Position Details

IIT Kanpur invites applications for the post of Research Associate-I in the DST project “Bioenergy & H2 Map”.


Essential Qualification

  • Ph.D. in Physics/ Physical Chemistry/Chemical Engineering.
  • The candidate should have a significant background in molecular simulations (DFT, MD) and thermodynamics.
  • The candidate should have a significant experience in quantum & classical molecular simulations.
  • The candidate should have experience in coding in python, C, C++ and experience of the Linux environment.


  • Additional experience in Enhance Sampling methods (such as metadynamics, umbrella sampling, FFS), nucleation theory and simulations, force-field generation and coarse-graining would be desirable.
  • Experience in using VASP, GROMACS, PLUMED, GAUSSIAN, LAMMPS etc.

Nature of Work

The candidate would be responsible for develop strategy to screen 2D materials using DFT and machine learning approaches for an efficient H2 generation from biomass. The work is in collaboration with an experimental group.


Rs. 47000 + HRA as per Institute norms.


Interested candidates should send their application along with the resume to:

Dr. Jayant K. Singh
Department of Chemical Engineering
IIT Kanpur
E-mail: jksrecruitment[at]
Ph. 0512 259 7017


Last date for receipt of application: Aug 15, 2022.

Notification of Research Associate (Chemical Engineering) Under DST Funded Project at IIT Kanpur