Electronic Structure Theory Group
People
Update: I have tried to automatize the open source ab-initio codes Quantum Espresso and YAMBO to compute ground state and excited state energies. These automatic scripts using Quantum Espresso (6.7MAX) +YAMBO (v5.1) are now available in my GitHub I have tried to write the flow in a super easy to understand format, so that anyone can run these lengthy and cascaded consecutive flows without losing much time in between. The folder names are compatible also to the yambopy process-flow.
Sitangshu Bhattacharya
Associate Professor
Room Number 2221, CC-1 Building
Department of Electronics and Communication Engineering
Indian Institute of Information Technology
Allahabad Uttar Pradesh 211 015
India
Email: sitangshu at iiita dot ac dot in
Academic Profile
Guest Faculty at Harish Chandra Research Institute (HRI) Jhunsi, Allahabad, 2019-2022.
Post-doc: Department of Electronic Systems Engineering, Indian Institute of Science, 2008-2013.
PhD: Jadavpur University, India, Awarded on 2009.
MSc: Electronic Science, University of Calcutta, India, Awarded on 2003.
BSc: Physics (Hons), University of Calcutta, India, Awarded on 2001.
Awards & Honors
1. INSPIRE FACULTY Award by Department of Science and Technology (DST), Govt. of India, 2013-2018.
2. Fast-Track Research Grant with Fellowship from DST, 2009-2012. Awarded with “Excellent” report.
3. Institute Fellowship, Indian Institute of Science Bangalore, India, 2008-2009.
4. International Travel Awards from DST and CSIR, Govt. of India, 2010.
5. National Scholarship Scheme from MHRD, India, 2001.
Collaborations
1. Professor Prasenjit Sen, HRI, Allahabad
2. Professor Frantisek Karliky, University of Ostrava, Czech
3. Professor Santanu Mahapatra, IISc Bangalore
4. Professor Amit Agarwal, IIT Kanpur
5. Professor Aniket Singha, IIT KGP
6. Professor Ramesh Mallik, IISc Bangalore
7. Dr. Rekha Verma, IIIT-Allahabad
8. Dr. Savitri Joshi, IIIT-Allahabad
Current PhD students:
| Sl. No. | Name | Topic | Supervisor | Co-supervisor | Duration |
|---|---|---|---|---|---|
| 1. | Mantasha Ansari | Exciton Dynamics in 2D Semiconductors | Sitangshu Bhattacharya | -, | 2026-ongoing |
| 2. | Raginee Singh | Exciton nonlinearities in 2D Semiconductors | Sitangshu Bhattacharya | -, | 2026-ongoing |
| 3. | Rishabh Saraswat | Phonon assisted luminiousities in 2D materials | Dr. Rekha Verma, IIIT-Allahabad | Sitangshu Bhattacharya | 2022-ongoing |
Current JRF students
| Sl. No. | Name | Supervisor | Duration |
|---|---|---|---|
| 1. | Prakhya Srivastava | Dr. Sitangshu Bhattacharya, IIIT Allahabad | Ongoing |
Visiting and Collaborative PhD students:
| Sl. No. | Name | Supervisor | Duration |
|---|---|---|---|
| 1. | Pushpendra Yadav | Professor Amit Aggarwal, IIT Kanpur | Awarded 2025 |
| 2. | Shirsha Guha | Professor Santanu Mahapatra, IISc Bangalore | Awarded 2025 |
| 3. | Afreen Haque | Professor Aniket Singha, IIT KGP | ongoing |
Past Visiting and Collaborative PhD students:
| Sl. No. | Name | Supervisor | Duration |
|---|---|---|---|
| 1. | V Vaishnavi | Professor Santanu Mahapatra, IISc Bangalore | Awarded 2023 |
Past PhD students:
| Sl. No. | Name | Topic | Supervisor | Co-supervisor | Present position | Duration | Google Scholar |
|---|---|---|---|---|---|---|---|
| 1. | Nilesh Kumar | Excitonic properties in 2D MXenes | František Karlický, University of Ostrava, Czech Republic | Sitangshu Bhattacharya | Post-doc at The Jožef Stefan Institute, Ljubljana, Slovenia | 2019-2025 | Link |
| 2. | Himani Mishra | First principles calculations of exciton physics within two dimensional materials | Sitangshu Bhattacharya | - | Post-doc at University of Texas at Austin, USA since 2021, now at Idaho National Lab USA since 2024 | 2016-2021 | Link |
JRF students:
| Sl. No. | Name | Topic | Supervisor | Co-supervisor | Current position | Duration |
|---|---|---|---|---|---|---|
| 1. | Anindya Bose | Ab-initio calculations in WSe2 monolayer. | Sitangshu Bhattacharya | - | Ph.D at CGCRI-Jadavpur. | 2016-2019 |
Current M.Tech. students:
| Sl. No. | Name | Topic | Supervisor | Co-supervisor | Internships | Duration |
|---|---|---|---|---|---|---|
| 1. | - | - | - | - | - | - |
Past M.Tech. students:
| Sl. No. | Name | Topic | Supervisor | Current position | Duration |
|---|---|---|---|---|---|
| 1. | Mohd. Kaif | Development of 2D Schrödinger–Poisson Solver with 1D NEGF Transport for Common Double-Gate Nanoscale MOSFET | Sitangshu Bhattacharya | - | 2025-2026 |
| 2. | Akshat Srivastava | Rashba Effects in 2D semiconductors | Sitangshu Bhattacharya | - | 2025-2026 |
| 3. | Ananya Chandra | NEGF code development | Sitangshu Bhattacharya | HCL Tech | 2024-2025 |
| 4. | Tanushree Seal | Machine learning algorithms for electron and hole mobility predictions | Sitangshu Bhattacharya | Qualcomm | 2024-2025 |
| 5. | Avani Shikha Mishra | NEGF transport development in 2D materials | Sitangshu Bhattacharya | Tech Mahindra | 2023-2024 |
| 6. | Pratyush Kumar Ojha | Tight binding theory in 2D materials | Sitangshu Bhattacharya | Synopsis | 2022-2023 |
| 7. | Debashis Nath | Quantum Capacitances in nanoscale MOSFETs. | Sitangshu Bhattacharya | C-DOT, Research Scientist | 2022-2023 |
| 8. | Danish Waheed | Electronic transport in nanoscale transistors | Sitangshu Bhattacharya | Qualcomm | 2020-2021 |
| 9. | Tutumoni Doley | Ab-initio analysis of stabilitzation of few layer heterostructures. | Sitangshu Bhattacharya | Micron | 2020-2021 |
| 10. | Avantika Kureel | Computational coding in density functional theory | Sitangshu Bhattacharya | - | 2019-2020 |
| 11. | Gururaj K A | Computational electronic resistivity and mobility in h-BN. | Sitangshu Bhattacharya | - | 2019-2020 |
| 12. | Shiv Gopal Yadav | First principles calculations in ground state electronic properties of MoS2-graphene heterostructures. | Sitangshu Bhattacharya | - | 2014-2016 |
| 13. | Mithun P | First principles calculations in Seebeck coefficients in MoS2 monolayers. | Sitangshu Bhattacharya | - | 2014-2016 |
| 14. | Vijay Singh | First principles calculations of thermal conductivities in h-BN monolayers. | Sitangshu Bhattacharya | - | 2014-2016 |
| 15. | Abhijeet Pathak | First principles calculations of electronic resistivities in WSe2 monolayers. | Sitangshu Bhattacharya | Ph.D at IIIT Jabalpur | 2014-2016 |
| 16. | Praveen Dwivedi | Physics of double-gate MOSFETs. | Sitangshu Bhattacharya | Ph.D at IIT Indore, now Research establishment officer at IIT Kanpur | 2014-2016 |
Past B.Tech. students:
| Sl. No. | Name | Topic | Supervisor | Current position | Duration |
|---|---|---|---|---|---|
| 1. | Namit Mishra | Computational coding in amourphous Al2O3/Si interfaces. | Sitangshu Bhattacharya | Senior Engineer at Samsung Semiconductor India, R&D | 2014-2018 |