IITGN Post-Doctoral Fellow Chemistry 2026

IITGN Post-Doctoral Fellow Chemistry 2026: Overview

Indian Institute of Technology Gandhinagar (IIT Gandhinagar) is hiring a Post-Doctoral Fellow in Chemistry through its Research and Development Office. The fellow will join Prof. Anirban Mondal's project on the data-driven inverse design of multifunctional TADF materials. This is a research-focused contract for someone who wants to combine molecular modelling, scientific programming and materials discovery in one project.

The project studies materials that may support optoelectronics, photocatalysis and solar-thermal storage. Instead of testing candidates one material at a time, the work links quantum-chemical calculations and molecular simulations with data-led screening. You will help build the computational path from a candidate molecular structure to a reliable picture of its useful properties, then use that evidence to identify promising materials.

Your day-to-day research will connect Density Functional Theory, molecular dynamics and kinetic modelling with high-throughput computing. The notice also places machine learning and optimisation in the wider workflow, so the role suits a researcher who is comfortable moving between chemical questions, simulation output and reusable code. Python, Fortran or C++ will be used to develop workflows on high-performance computing platforms.

The scientific aim is broader than running calculations: you will establish structure-property relationships that explain why a material behaves as it does. That means checking the quality of simulation data, comparing methods, organising results for screening and turning complex output into choices the project team can act on. A careful, reproducible approach matters because several computational methods feed the same design pipeline.

Service Conditions and Caveats

• Project appointment: this is a temporary, full-time research engagement managed through IIT Gandhinagar's Research and Development Office, not a regular faculty appointment.
• Tenure: the first appointment is for one year. Any extension depends on your performance and the continued availability of project funds.
• Shortlisting: meeting the stated minimum does not guarantee that IIT Gandhinagar will call you. The institute may apply a higher cut-off when it needs to narrow the applicant pool.
• Selection test: the institute may decide whether to call an applicant for a test as part of the selection round; the notice does not publish a fixed test format.
• Position status: IIT Gandhinagar keeps the right not to fill the position in this round. An application therefore does not create a claim to shortlisting or appointment.
• Research fit: your application should make the connection between your doctoral work and the project's computational materials-design methods clear, especially where you have used more than one of the preferred simulation approaches.

• Run quantum-chemical calculations for candidate TADF materials
• Build molecular-simulation and high-throughput screening workflows
• Develop scientific code in Python, Fortran or C++
• Analyse structure-property relationships from computational results
• Apply machine-learning and optimisation methods to materials discovery
• Use high-performance computing systems for large simulation workloads
• Document methods, results and reproducible research workflows