Post Doctoral Fellowship at IIT Kanpur | Chemical Science Graduates Apply Now
Looking for IIT Kanpur Vacancy 2026, Post Doctoral Fellowship, or top Chemical Science Careers? Here is an exciting opportunity at IIT Kanpur under the AI4Science initiative for highly motivated researchers. This Postdoctoral Fellowship offers cutting-edge work in molecular simulation, quantum mechanics, and machine learning, making it ideal for candidates aiming for advanced Chemical Science Careers and Research Fellowship India. If you have a PhD in Chemical Engineering or Computational Chemistry, don’t miss this high-impact opportunity—apply now!
About IIT Kanpur
IIT Kanpur is a premier educational and research institution renowned for its cutting-edge innovation and excellence in academia. Our focus on technology and engineering has positioned us as a leader in fostering breakthroughs across various scientific disciplines. The Indian Institute of Technology Kanpur (IIT Kanpur) is one of India’s premier institutions known for excellence in research and innovation. Through its advanced IIT Kanpur Recruitment programs, it offers world-class Post Doctoral Fellowship opportunities and supports the growth of Chemical Science Careers in emerging interdisciplinary fields like AI and computational science.
Advertisement Number: P.Rect./R&D/2025/062
- Position: Project Post-Doctoral Fellow
- Qualifications: 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.
- Preferred Qualifications: Ph.D. in Chemical Engineering/Computational Physics/ Computational Chemistry/Computational Materials Science and Engineering
Project Overview:
IIT KANPUR invites applications 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.
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).
Duration of Appointment:
The appointment for the above posts initially will be for 1 year, which will be extended with mutual consent if the 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 shortlisting of eligible candidates satisfying qualifications and experience. Only short-listed candidates will accordingly be called for an interview.
Note: No TA/DA will be paid for attending the interview.
Application Deadline:
Last date for receipt of application: April 25, 2026. Interested candidates should send their application along with their resume to:
Dr. Jayant K. Singh
Department of Chemical Engineering
IIT Kanpur
E-mail: jksrecruitment@gmail.com
This IIT Kanpur Vacancy 2026 offers a prestigious Post Doctoral Fellowship for candidates aiming to build strong Chemical Science Careers. With cutting-edge AI-driven research and excellent salary prospects, this is a golden opportunity to advance in scientific research.
