Post-Doctoral Fellow in Data-Driven Design of TADF Materials at IIT Gandhinagar (Chemistry)
Job Description
Prof. Anirban Mondal’s group in the Department of Chemistry at IIT Gandhinagar is looking for a Post-Doctoral Fellow in computational materials design. The project uses quantum chemistry, molecular simulation and machine learning to design thermally activated delayed fluorescence (TADF) materials for optoelectronics, photocatalysis and solar thermal storage. The fellowship pays Rs 1,00,000 a month, and the last date is 20 September 2026.
At a glance
- Position: Post-Doctoral Fellow (1 post), Advertisement No. OTH/13515/Advt0307 dated 31.08.2026
- Project: Data-Driven Inverse Design of Multifunctional TADF Materials for Optoelectronics, Photocatalysis, and Solar Thermal Storage
- PI: Prof. Anirban Mondal, Chemistry
- Pay: Rs 1,00,000 per month, consolidated
- Duration: One year, extendable subject to performance and funding
- Apply by: 20 September 2026
TADF materials can harvest both singlet and triplet excitons, which makes them attractive for efficient OLEDs and for light-driven chemistry. Inverse design flips the usual workflow: instead of computing properties molecule by molecule, it searches chemical space for structures that meet target properties, which is where high-throughput screening and machine learning come in.
What the fellow will do
- Computational and data-driven design of organic and inorganic TADF materials
- Quantum-chemical calculations and molecular simulations to establish structure-property relationships
- High-throughput screening, machine learning and optimisation to identify promising candidate materials
- Develop computational workflows in Python, Fortran or C++ on high-performance computing platforms
Eligibility
- PhD in Chemistry, Physics, Materials Science, Chemical Engineering or a related discipline
- At least 60% marks or an equivalent grade from graduation onwards, and at least 55% or equivalent in class 10 and class 12
- Experience in two or more of: density functional theory, ab initio molecular dynamics, classical molecular dynamics, kinetic Monte Carlo
- Strong programming (preferably Python, Fortran or C++), analytical skills and knowledge of high-performance computing. High-throughput computing, machine learning and optimisation methods are an added advantage
IIT Gandhinagar notes that meeting the minimum criteria does not guarantee shortlisting; it may apply a higher cut-off, and it may choose not to fill the post in this round.
Pay and duration
- Rs 1,00,000 per month, consolidated
- One year, extendable subject to performance and availability of funds
- Eligibility follows IIT Gandhinagar institute norms
How to apply
Apply on IIT Gandhinagar’s project staff recruitment portal by 20 September 2026. Queries can go to Prof. Anirban Mondal at amondal@iitgn.ac.in, as given in the advertisement.
Key dates
- Advertisement dated 31 August 2026
- Last date to apply: 20 September 2026
Please read the official IIT Gandhinagar advertisement (PDF) before applying, and browse more postdoctoral jobs on ResearchJobs.in.
Hiring institution: Indian Institute of Technology Gandhinagar
Official advertisement: drive.google.com
How to prepare for this application
- Name your methods precisely: the ad asks for two or more of DFT, AIMD, classical MD and kMC, so state which codes you used (for example Gaussian, VASP, CP2K, LAMMPS) and for what.
- Show excited-state work if you have it: TDDFT, singlet-triplet gaps or photophysics experience maps directly onto TADF design.
- Link your code: a GitHub repository with a screening or ML workflow is strong evidence of the programming the ad asks for.
- Mention HPC scale: say how many cores or GPU hours your past projects used and which schedulers you know.
- Apply early: the deadline is only a week away, and the portal needs your marks from class 10 onwards.
About IIT Gandhinagar
IIT Gandhinagar was set up in 2008 and has its campus at Palaj, on the banks of the Sabarmati river near Gandhinagar, Gujarat. Temporary project staff, including post-doctoral fellows, are recruited through its Research & Development Office, and applications are made on the institute's project staff recruitment portal.
