Designation/Position- Project Postdoctoral Fellow at IIT
IIT Kanpur, India, invites applications for Project Postdoctoral Fellow at IIT from eligible and interested candidates
About- Indian Institute of Technology Kanpur is a public technical and research university in Kanpur, Uttar Pradesh. It was declared to be an Institute of National Importance by the Government of India under the Institutes of Technology Act. Project Postdoctoral Fellow at IIT
Research/Job Area- Chemical Engineering/Computational Physics/ Computational Chemistry/Computation Material Science and Engineering
Location- IIT Kanpur
Eligibility/Qualification–
Preferred Qualifications:
Ph.D. in Chemical Engineering/Computational Physics/ Computational Chemistry/Computation Material Science and Engineering
Experience:
- Strong background in statistical mechanics, molecular simulations and thermodynamics.
- Significant experience in quantum mechanical calculations
- Strong programming skills (e.g., Python, C/C++, or related)
- Familiarity with Bayesian optimization, machine learning, or AI-driven modeling
- Experience with reactive force fields (e.g., ReaxFF or similar frameworks).
Job/Position Description-
IIT KANPUR invites application for the post of Project Post-Doctoral Fellow in the Project.
We are seeking a highly motivated Postdoctoral Researcher to join our AI4Science initiative, focusing on the intersection of molecular simulation, quantum mechanics, and machine learning.
The successful candidate will have demonstrated expertise in force-field development, with strong proficiency in quantum mechanical (QM) methods and molecular dynamics (MD) simulations. A key component of this role is the automated development of reactive force fields using Bayesian optimization and related data-driven techniques, and extending towards universal MLP.
In addition, the candidate will contribute to the discovery of next-generation materials through inverse design frameworks, integrating physics-based modeling with modern AI approaches. This work aims to accelerate materials innovation by bridging molecular-scale understanding with data-driven optimization.
Applicants should possess a strong foundation in applied mathematics and computational methods, along with a proven record of impactful research, evidenced by publications or prior project outcomes.
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: 60,000/5000/85000
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
How to Apply-
Interested candidates should send their application along with the resume to:
Dr. Jayant K. Singh
Department of Chemical Engineering
IIT Kanpur
E-mail: jksrecruitment@gmail.com
Ph. 0512 259 7017
Last Date for Apply– 25 April 2026
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