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Project Postdoctoral Fellow Position in AI-Based Molecular Simulation at IIT Kanpur – Apply by 15 October 2025

About Position/Job

The Indian Institute of Technology (IIT) Kanpur invites applications for a Project Postdoctoral Fellow in the “JB Centre of Excellence in Speciality Chemicals” project. The research focuses on AI-driven design of surfactants using molecular simulation, integrating AI and molecular modelling techniques to solve real-world chemical engineering challenges. The selected candidate will work under the guidance of Dr. Jayant K. Singh in the Department of Chemical Engineering. This is a temporary contractual position initially for one year, with the possibility of extension based on performance. The project offers a unique opportunity to advance expertise in molecular dynamics, Monte Carlo simulations, force-field development, and AI tools while contributing to cutting-edge research in speciality chemicals.

Position/Job Details

Research Area

  • AI-driven molecular simulation for surfactant design
  • Molecular modelling, force-field development
  • Molecular Dynamics (MD) and Monte Carlo (MC) simulations
  • Application of AI tools in chemical engineering research
  • Speciality chemicals research and development

Eligibility & Qualifications

Minimum Requirements:

  • PhD in Physics, Physical Chemistry, or Chemical Engineering
  • Significant experience in molecular simulation and modelling

Preferred Qualifications:

  • Exposure to AI tools for molecular design
  • Strong computational skills in molecular dynamics and Monte Carlo simulations
  • Experience in force-field development

Key Responsibilities

  • Conduct molecular simulations and AI-assisted design of surfactants
  • Develop computational models, run MD/MC simulations
  • Collaborate with the project team for analysis and interpretation of results
  • Contribute to scientific publications and reports

Application Process

How to Apply:

Send your application and detailed CV/resume via email to Dr. Jayant K. Singh at jksrecruitment@gmail.com

Required Documents:

  • CV/Resume
  • Academic Certificates & PhD Degree Proof
  • List of Publications (if any)

Important Dates

  • Application Deadline: 15 October 2025
  • Application Open: 29 September 2025
  • Interview Date: Will be notified to shortlisted candidates

Useful Links

Learn about more Job opportunities:  HigherJobz


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