Indian Institute of Technology Gandhinagar (IIT Gandhinagar), Department of Chemistry, has an immediate opening for a Post-Doctoral Fellow position in the Computational Materials Discovery group. The position is for a research project on "Data-Driven Inverse Design of Multifunctional TADF Materials for Optoelectronics, Photocatalysis, and Solar Thermal Storage."

IIT Gandhinagar Recruitment 2026 Overview

Vacancy Details

Project Details

Project Title

Data-Driven Inverse Design of Multifunctional TADF Materials for Optoelectronics, Photocatalysis, and Solar Thermal Storage

Research Focus

• Computational design of Thermally Activated Delayed Fluorescence (TADF) materials
• Applications in optoelectronics, photocatalysis, and solar thermal storage
• Data-driven and machine learning approaches for materials discovery
• High-throughput computational methods

Eligibility Criteria

Essential Qualifications

• Ph.D. Degree in Chemistry, Physics, Materials Science, Chemical Engineering, or related discipline from a recognized institution
• Academic Performance:
  • Minimum 60% marks or equivalent CGPA from Graduation onwards
  • Minimum 55% marks or equivalent grade in Class 10th and Class 12th

Preferred Skills and Experience

• Prior experience in two or more of the following areas:
  • Density Functional Theory (DFT)
  • Ab initio Molecular Dynamics (AIMD)
  • Classical Molecular Dynamics (MD)
  • Kinetic Monte Carlo (KMC)
• Programming Expertise:
  • Excellent programming abilities (preferably in Python, Fortran, or C++)
  • Knowledge of high-performance computing
  • Experience with computational chemistry software
• Desirable Skills:
  • Expertise in high-throughput computing
  • Machine learning methods and applications
  • Optimization methods
  • Strong analytical skills

Fellowship and Duration

Job Responsibilities

• Conduct computational research on TADF materials design
• Perform density functional theory and molecular dynamics simulations
• Develop and apply machine learning models for materials discovery
• High-throughput screening of materials
• Data analysis and interpretation
• Contribute to research publications and presentations
• Collaborate with other researchers and group members
• Maintain detailed research records and documentation
• Assist in mentoring undergraduate/graduate students (if required)

Important Dates

Application Instructions

How to Apply

1. Prepare all required documents as listed below
2. Combine all documents into a single PDF file
3. Email the complete application to: [email protected]
4. Subject line: "Application for Post-Doctoral Fellow - TADF Materials"
5. Submit before 10.02.2026

Required Documents

1. Detailed Curriculum Vitae (CV) including:
   • Academic track record
   • Fellowships, awards, and honors
   • List of publications (journal papers, conference proceedings)
   • Contributed and invited talks
   • Poster presentations
   • Computational expertise and technical skills
2. Cover Letter explaining why the candidate is suitable for this position
3. Research Statement (not more than 1 page) describing research interests and goals
4. Ph.D. Certificate (scanned copy)
   • If Ph.D. degree is pending, provide formal confirmation of thesis submission or expected completion date
   • Selected candidate must provide original degree certificates for verification
   • Failure to provide originals will result in cancellation of position
5. Two Letters of Recommendation
   • Must be sent directly by the recommenders to: [email protected]
   • Should be from Ph.D. advisor or senior researchers

Selection Process

1. Application screening for completeness and eligibility
2. Evaluation of research background and computational skills
3. Review of academic qualifications and publications
4. Assessment of fit with project requirements
5. Interview with research group (if shortlisted)
6. Final selection based on merit

Important Information

• Position is available immediately
• Fellowship is on consolidated basis
• Appointment subject to satisfactory research performance
• Continued funding availability determines extension possibility
• Original degree certificates must be produced for verification
• All application documents must be submitted as a single PDF file
• Recommendation letters must be sent directly by recommenders
• Early submission is encouraged
• Decision of the selection committee is final
• The institute reserves the right to modify or cancel the position

Contact Information

Principal Investigator / Supervisor
Anirban Mondal
Associate Professor
Department of Chemistry
Indian Institute of Technology Gandhinagar
Palaj, Gandhinagar-382355, Gujarat, India
Email: [email protected]
Personal Website: anirban.people.iitgn.ac.in
IIT Gandhinagar Website: iitgn.ac.in

Important Links