INDIAN INSTITUTE OF TECHNOLOGY KANPUR

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Department of Chemical Engineering

Advertisement Number: P.Rect./R&D/2024/137

IIT KANPUR invites application for the post of Project post-Doc fellow in the project”

Essential Qualification

  • Ph.D. in Computational Chemical Engineering/ Physics/ Chemistry/ or relevant engineering background.
  • The candidate should have a significant background in statistical mechanics, molecular simulations (MD), and thermodynamics.
  • The candidate should have a significant experience in classical molecular simulations (all-atom and/or coarse-grained).
  • The candidate should have experience in coding in python/C/C++ and experience of the Linux environment.

Desirable qualification

  • Expertise in self-assembly and aggregation thermodynamics of amphiphilic molecules like surfactants, polymers, and lipids is desirable.
  • Additional experience in Enhance Sampling methods (such as metadynamics, umbrella sampling, FFS), force-field generation, coarse-graining, and machine-learning modelling on polymers and surfactants would be desirable.
  • Experience in using molecular simulation software packages like GROMACS, PLUMED, LAMMPS, etc.

Nature of Work

The candidate would be responsible for performing all-atom and/or coarse-grained MD simulations on polymer/surfactant solutions wherein, the focus will be to investigate the change in water activity upon aggregation of polymer/surfactant molecules.

The candidate would also be working with members of the group and will get an opportunity to collaborate on the subject with a company. The candidate will also have to guide the Ph.D. student and assist the PI in other research activities.

Duration of Appointment

  • The appointment for the above posts initially will be for 1 year, which will be extended with mutual consent if performance of the candidate is good.
  • The post is purely temporary and on a contractual basis.
  • Salary Range: 60,000-5000-85,000

The department reserves the right to fix suitable criteria for short listing of eligible candidates satisfying qualifications and experience. Only short-listed candidates will accordingly be called for interview.

No TA/DA will be paid for attending the interview

Last date for receipt of application: June 25, 2024. Interested candidates should send their application along with the resume to:


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