INDIAN INSTITUTE OF TECHNOLOGY KANPUR

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Department of Chemical Engineering

Advertisement Number: P.Rect/R&D/2021/208

Computational Nanoscience and Interfacial Science Lab invites application for the post of Project Postdoctoral Fellow in the SERB project "Structural evaluation of building block of ice in different geometry/conditions and its impact on nucleation behavior"

Essential Qualification:

  • Ph.D. in Chemical Engineering/Computational Physics/ Computational Physical Chemistry
  • The candidate should have a strong background in statistical mechanics, molecular simulations, and thermodynamics.
  • The candidate should have significant experience in classical molecular simulations, particularly Monte Carlo and Molecular Dynamics.
  • The candidate should have rich experience in coding in python, C, C++ and experience of the Linux environment and software codes such as LAMMPS, PLUMED, GROMACS.
  • Experience in methods such as Enhance Sampling methods (such as metadynamics, umbrella sampling, FFS), nucleation theory and simulations, force-field generation would be considered favourably

Nature of Work

The candidate would be responsible for developing a machine learning/deep learning module to accelerate the discovery of molecules/materials for a specific application. The work is in collaboration with Prescience Insilico Pvt. Ltd.

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.
  • Consolidated Salary: 50000-55000-60000

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: September. 25, 2021. Interested candidates should send their application along with the resume to :

Dr. Jayant K. Singh
Department of Chemical Engineering
IIT Kanpur
E-mail: job.cnisl@gmail.com
Groupwebsite: https://home.iitk.ac.in/~jayantks
Ph. 0512 259 7017


The selection will be based on Zoom/Skype online Interview. Short listed candidate s will be informed with an email about the date of interview.

Interested candidates may be apply on email giving full details of qualification, experience with copies of relevant certificate by 25 Sep.. 2021.

It is mandatory to mention your mobile number in the application (soft copy) must be sent at following email address.