In our group, we focus on the following areas: 

• Gate- based as well as quantum annealer- based quantum algorithms applied to atomic and molecular physics/quantum chemistry calculations, 

• Developing quantum algorithms, and 

• Work on resource reduction techniques to execute calculations on NISQ quantum computers. 

The slide below summarizes the major areas of research in our group. 

2025: 

1. P. B. Tsemo, A. Jayashankar, K. Sugisaki, N. Baskaran, S. Chakraborty, and V. S. Prasannaa, Enhancing the Harrow-Hassidim-Lloyd (HHL) algorithm in systems with large condition numbers, Phys. Rev. Research 7, 023270 (2025). 

2. P. Chawla, Shweta, K. R. Swain, T. Patel, R. Bala, D. Shetty, K. Sugisaki, S. B. Mandal, J. Riu, J. Nogue, V. S. Prasannaa, and B. P. Das, Relativistic VQE calculations of molecular electric dipole moments on trapped ion quantum hardware, Phys. Rev. A 111, 022817 (2025). 

2024: 

3. Akhil Pratap Singh, K. Sugisaki, V. S. Prasannaa, B. K. Sahoo, B. P. Das, and Y. Nakamura, Phys. Rev. A 110, 062620 (2024). 

4. Vikrant Kumar, Nishanth Baskaran, V. S. Prasannaa, K. Sugisaki, D. Mukherjee, K. G. Dyall, and B. P. Das, Computation of relativistic and many-body effects in atomic systems using quantum annealing, Phys. Rev. A 109, 042808 (2024). 

5. R. Bala, V. S. Prasannaa, D. Chakravarti, D. Mukherjee, and B. P. Das, Ab initio spectroscopic studies of of AlF and AlCl molecules, IJMP B 39, 2550024 (2024). 

6. A. Thakur, R. Bala, H. S. Nataraj, and V. S. Prasannaa, Relativistic coupled-cluster calculations for the molecular properties of AlX+ (X: F, Cl, Br, I, At and Ts) ions, J Phys B 57, 215102 (2024). 

2023: 

7. D. Halder, V. S. Prasannaa, V. Agarawal, and R. Maitra, Iterative quantum phase estimation with variationally prepared reference state, Int J Quant Chem 123, 3 (2023). 

8. R. Bala, V. S. Prasannaa, and B. P. Das, Relativistic calculations of molecular electric dipole moments of singly charged aluminium monohalides, J Phys B 56, 125101 (2023). 

9. R. Bala, V. S. Prasannaa, M. Abe, and B. P. Das, Effective electric field associated with the electric dipole moment of the electron for TlF+, EPJ Plus 138, 478 (2023). 

10. K. Sugisaki, V. S. Prasannaa, S. Ohshima, T. Katagiri, Y. Mochizuki, B. K. Sahoo, and B. P. Das, Bayesian phase difference estimation algorithm for direct calculation of fine structure splitting: accelerated simulation of relativistic and many-body effects, Electron Struct 5, 035006 (2023). 

11. N. Baskaran, Abhishek Singh Rawat, A. Jayashankar, D. Chakravarti, K. Sugisaki, Shibdas Roy, Sudhindu Bikash Mandal, D. Mukherjee, and V. S. Prasannaa, Adapting the HHL algorithm to quantum many-body theory, Phys. Rev. Research 5, 043113 (2023). 

2022: 

12. Sumeet, V. S. Prasannaa, B. K. Sahoo, and B. P. Das, Assessing the Precision of Quantum Simulation of Many-Body Effects in Atomic Systems using the Variational Quantum Eigensolver Algorithm, Quantum Reports 4, 173 (2022). 

13. R. Mitra, B. K. Sahoo, and V. S. Prasannaa, Electric dipole moments and static dipole polarizabilities of alkali-metal–alkaline-earth-metal molecules: Nonrelativistic versus relativistic coupled-cluster-theory analysis, Phys. Rev. A 105, 062811 (2022). 

14. R. Alarcon et al, Electric dipole moments and the search for new physics (white paper), arXiV 2203.08103 (2022). 

15. R. Villela, V. S. Prasannaa, and B. P. Das, High precision quantum simulation of ionization energies of single valence atoms, EPJ Plus 137, 1017  (2022). 

16. D. Halder, V. S. Prasannaa, and R. Maitra, Dual exponential coupled cluster theory: unitary adaptation, implementation in the variational quantum eigensolver framework, and pilot applications, J Chem Phys 157, 174117 (2022). 

2021: 

17. R. Mitra, V. S. Prasannaa, B. K. Sahoo, N. R. Hutzler, M. Abe, and B. P. Das, Study of HgOH to assess its suitability for electron electric dipole moment searches, Atoms 9, 7 (2021). 

18. R. Mitra, V. S. Prasannaa, R. F. Garcia Ruiz, T. K. Sato, M. Abe, Y. Sakemi, B. P. Das, and B. K. Sahoo, Towards CP-violation studies on superheavy molecules: Theoretical and experimental perspectives, Phys. Rev. A 104, 062801 (2021). 

2020: 

19. R. Mitra, V. S. Prasannaa, and B. K. Sahoo, A comparative analysis of non-relativistic and relativistic calculations of electric dipole moments and polarizabilities of heteronuclear alkali dimers, Phys. Rev. A 101, 012511 (2020). 

20. V. S. Prasannaa, B. K. Sahoo, M. Abe, and B. P. Das, Significance of non-linear terms in the relativistic coupled-cluster theory in the determination of molecular properties, Symmetry 12, 811 (2020). 

21. V. S. Prasannaa, R. Mitra, and B. K. Sahoo, Reappraisal of P, T-odd parameters from the improved calculation of electric dipole moment of 225Ra atom,  J. Phys. B: At. Mol. Opt. Phys. 53, 195004 (2020). 

2019: 

22. A. Sunaga, V. S. Prasannaa, M. Abe, M. Hada, and B. P. Das, Ultracold mercury-alkali-metal molecules for electron electric dipole moment searches, Phys. Rev. A 99, 040501(R) (2019). 

23. N. M. Fazil, V. S. Prasannaa, K. V. P. Latha, M. Abe, and B. P. Das, RaH as a potential candidate for electron electric dipole moment searches, Phys. Rev. A 99, 052502 (2019).  

24. V. S. Prasannaa, N. Shitara, A. Sakurai, M. Abe, and B. P. Das, Enhanced sensitivity of the electron electric dipole moment from YbOH: the role of theory, Phys. Rev. A 99, 062502 (2019). 

25. V. S. Prasannaa, A. Sunaga, M. Abe, M. Hada, N. Shitara, A. Sakurai, and B. P. Das, The role of relativistic many-body theory in electron electric dipole moment searches using cold molecules, Atoms 7(2), 58 (2019). 

26. A. Sunaga, M. Abe, V. S. Prasannaa, T. Aoki, and M. Hada, Relativistic coupled-cluster study of diatomic metal--alkali-metal molecules for electron electric dipole moment searches, J. Phys. B: At. Mol. Opt. Phys. 53, 1 (2019). 

2018: 

27. M. Abe, V. S. Prasannaa, and B. P. Das, Application of the finite field coupled cluster method to calculate molecular properties relevant to electron electric dipole moment searches, Phys. Rev. A 97, 032515 (2018). 

28. N. M. Fazil, V. S. Prasannaa, K. V. P. Latha, M. Abe, and B. P. Das, Electron correlation trends in the permanent electric dipole moments of alkaline-earth-metal monohydrides, Phys. Rev. A 98, 032511 (2018). 

29. A. Sunaga, V. S. Prasannaa, M. Abe, M. Hada, and B. P. Das, Enhancement factors of parity- and time-reversal violating effects for monofluorides, Phys. Rev. A 98, 042511 (2018). 

2017: 

30. V. S. Prasannaa, M. Abe, V. M. Bannur, and B. P. Das, Theoretical analysis of effective electric fields in mercury monohalides, Phys. Rev. A 95, 042513 (2017). 

2016: 

31. V. S. Prasannaa, S. Sreerekha, M. Abe, V. M. Bannur, and B. P. Das, Permanent electric dipole moments of alkaline-earth-metal monofluorides: Interplay of relativistic and correlation effects, Phys. Rev. A 93, 042504 (2016). 

32. V. S. Prasannaa, M. Abe, and B. P. Das, The role of molecular electric dipole moments of mercury monohalides in the search for the electron electric dipole moment, Asian Journal of Physics, in the issue, ’Advances in High Precision Spectroscopy and Tests of Fundamental Physics’, 25, 10 , page 1259 (2016). 

2015: 

33. V. S. Prasannaa, A. C. Vutha, M. Abe and B. P. Das, Mercury monohalides: suitability for electron electric dipole moment searches, Phys. Rev. Lett.114, 183001 (2015). 

2014: 

34. V. S. Prasannaa, M. Abe, and B. P. Das, Permanent electric dipole moment of strontium monofluoride as a test of the accuracy of a relativistic coupled-cluster method, Phys. Rev. A 90, 052507 (2014). 

• D. Shetty, S. Dutta, P. Chawla, A. Jayashankar, Jordi Riu, Jan Nogue, K. Sugisaki, and V. S. Prasannaa, Do quantum linear solvers offer advantage for networks-based system of linear equations?, arXiv2509.00913 (2025). 

• P. P. Sahoo, V. S. Prasannaa, and B. P. Das, Application of quantum annealing to computation of molecular properties, arXiv2508.12779 (2025). 

• A. Kalam, P. Deb, A. Sakurai, B. K. Sahoo, V. S. Prasannaa, and B. P. Das, Efficient quantum information-inspired ansatz for variational quantum eigensolver algorithm: applications to atomic systems, arXiv2508.10593 (2025). 

• P. Chawla, D. Shetty, P. B. Tsemo, K. Sugisaki, J. Riu, J. Nogue, D. Mukherjee, and V. S. Prasannaa, VQE calculations on a NISQ era trapped ion quantum computer using a multireference unitary coupled cluster ansatz: application to the BeH2 insertion problem, arXiv2504.07037 (2025). 

• Aashna Anil Zade, K. Sugisaki, M. Werner, A. Palacios, A. Garcia-Saez, A. Riera, and V. S. Prasannaa, Capturing strong correlation effects on a quantum annealer: calculation of avoided crossing in the H4 molecule using the quantum annealer eigensolver, arXiv 2412.20464 (2024). 

• A. Majumder, D. Lewis, A. Jayashankar, V. S. Prasannaa, and S. Bose, Variational quantum circuits for multi-qubit gate automata, arXiv 2209.00139 (v2) (2024). 

• Das, B. P., Nayak, M. K., Abe, M., and Prasannaa,V. S. , Liu, W. (Ed.) Handbook of relativistic quantum chemistry: relativistic many-body aspects of the electron electric dipole moment searches using molecules, Springer Berlin Heidelberg, chapter 19, pages 581-610 (2016). 

• Talk on CP violation and its implications on electric dipole moments in elementary particles and matter- antimatter asymmetry, in ‘Neighborhood Astronomy Meeting’ in Indian Institute of Astrophysics, Bangalore, 2014. 

• Short talk at Tokyo Metropolitan University, Tokyo, on the suitability of mercury monohalides as promising candidates to probe electron electric dipole moment, in the conference, ‘The global human resource program bridging across physics and chemistry’, 2015. I also presented a poster discussing the same work. 

• Talk at Physical Research Laboratory, Ahmedabad, on mercury monohalides and future work with the molecules along with some preliminary results, in the conference, ‘Exploring fundamental physics using atomic systems 2015’, 2015. 

• Presented a poster in ICAP 2016 (International Conference on Atomic Physics 2016), Seoul, South Korea, on our work on mercury alkalis, 2016. 

• Presented a poster on our ongoing work on finite field coupled cluster method in RAMET 2017 (Recent Advances in Many electron Theories 2017), Goa, India. 6. Short talk at CNSSS 2017 (CNS summer school, University of Tokyo), on mercury halides and CnF as eEDM candidates, 2017. 

• Talk in the International Workshop on Computational Science and Many-Body Theory of Atoms and Molecules, held in Tokyo Institute of Technology, 2018. 

• Presented a poster in AISAMP 2018, Indian Institute of Technology Mumbai and TIFR, India, on our latest results on mercury alkalis, 2018. 

• Presented a poster in ICQAO 2018, Indian Institute of Technology Patna, India, on our ongoing work on non-linear expectation value implementation of relativistic coupled cluster method, 2018. 

• Workshop on Recent Trends in Electronic Structure of Atoms and Molecules, January 11th, 2019, held at Tokyo Institute of Technology, Tokyo: presented a talk titled, ‘Relativistic Coupled Cluster Studies of the Electric Dipole Moment of the Electron in YbOH’, 2019. 

• 22nd National Conference on Atomic and Molecular Physics (22nd NCAMP), held at IIT Kanpur, Kanpur (2019): presented a talk for and won the Best Thesis Award, and the title of the talk was, ‘The Search for the Electric Dipole Moment of the Electron in Mercury Halides Using the Relativistic Coupled Cluster Theory’, 2019. 

• Young Physicists’ Meet (2019), held at Physical Research Laboratory, Ahmedabad: presented a talk titled, ‘The Search for the Electric Dipole Moment of the electron Using Molecules’, 2019. 

• Talk in Department of Physics, Indian Institute of Technology, Madras (IIT Madras) titled, ‘The role of accurate molecular calculations in probing fundamental physics’, 2019. 

• Seminar in National Laboratory for Atomic Molecular and Optical Physics, Nicolaus Copernicus University, Poland, titled, 'The role of accurate molecular calculations to probe fundamental physics', 2020. 

• Talk in Quantum Computing ⨷ Quantum Chemistry Workshop, titled, 'Quantum Simulation using the Variational Quantum Eigensolver Algorithm: Hardware-efficient versus unitary coupled-cluster ansatz ', 2020. 

• Talk in Quantum Sciences and Technologies: applications to modern atomic physics (QSTAP 2021) conference organized by Physical Research Laboratory, titled, 'Assessing the Precision of Quantum Simulation of Many-Body Effects in Atomic Systems using the Variational Quantum Eigensolver Algorithm', 2021. 

• Talk in New Opportunities for Fundamental Physics Research with Radioactive Molecules, organized by MIT, titled, ‘Role of relativistic many-body theory for electron electric dipole moment searches for radioactive molecules’, 2021. 

• Talk in QIQT 2021, organized by IISER Kolkata, titled, ‘Assessing the Precision of Quantum Simulation of Many- Body Effects in Atomic Systems using the Variational Quantum Eigensolver Algorithm ’, 2021. 

• Talk in Tamions2 2022, organized by ICTS Bangalore, titled, 'Electron electric dipole moment searches using ultracold molecules', 2022. 

• Talk in QIQT 2022, organized by IISER Kolkata, titled, ‘Quantum simulation of ionization energies of single valence atoms’, 2022. 

• Talk in Winter School on Quantum Computation: How to Quantum Compute?, titled, 'Atomic and molecular calculations using the VQE algorithm', 2022. 

• Talk in Progress in Quantum Science and Technologies 2023, organized by IIT Madras, titled, 'Atomic and Molecular Calculations Using Quantum Algorithms', 2023. 

• Talk in Adiabatic Quantum Computing 2023 (AQC2023), organized by CQuIC and LANL, titled, 'Accurate computation of relativistic excitation energies using quantum annealing', 2023. 

• Talk in Department of Physics, University of Wisconsin Madison, titled, 'Atomic and molecular calculations using quantum algorithms', 2023. 

• Talk in the International Symposium on Quantum Computing and Innovations, organized by CDAC and held in BHU, Varanasi, 2023. 

• Talk in the symposium on Materials and Computational Chemistry Applications on HPC platform, organized by CDAC in Pune, 2023. 

• Talk on 'Adapting the HHL algorithm to quantum many-body theory' in the IACS-IISER Kolkata Joint Discussion Meeting on Quantum Sensing and Quantum Metrology, 2023. 

• Talk on 'Accurate computation of relativistic excitation energies using quantum annealing' in the Symposium on Quantum Computing with Superconducting Qubits, organized by CQuERE, TCG CREST, 2023. 

• Talk on 'Adapting the Harrow-Hassidim-Lloyd algorithm to quantum many-body theory' in the IBMQ monthly seminar/talk, 2023. 

• Talk on 'Atomic and molecular calculations using quantum algorithms', in the SINP Theoretical Physics Seminar, 2023. 

• Talk on 'Molecular calculations on heavy systems to probe fundamental physics: classical and quantum computing perspectives', in the INT Seattle Workshop on Fundamental Physics with Radioactive Molecules, 2024. 

• Talk on 'Atomic and molecular calculations using quantum algorithms', in the Department of Physics, University of Wisconsin Madison, 2024. 

• Talk on 'Quantum algorithms', in the International Conference on 60 Years of DFT: Advancements in Theory and Computation, IIT Mandi, 2024. 

• Talk on ‘The HHL algorithm’, in the IBM Qiskit Fall Fest, Kharagpur Quantum Informatics and Computing Club (KQICC), 2024. 

• Talk on 'The HHL algorithm', in Faculty Development Programme on Recent Trends in Quantum Computing organized by IEM Kolkata, 2024. 

• Talk on 'Quantum algorithms for atomic and molecular physics calculations', in the National Conference for Atomic and Molecular Physics organized in ISM Dhanbad, 2025. 

• Talk on 'Quantum algorithms for atomic and molecular physics calculations', in the Quantum Symposium for Young Investigators organized in IIT Madras, 2025. 

• Talk on 'Atomic and molecular physics calculations in the quantum computing framework', in the International Conference on Quantum Many-body Systems 2025 organized in Manipur University, 2025. 

• Talk on 'Atomic and molecular physics calculations in the quantum computing framework', in Department of Physics, IIT Delhi, 2025. 

• Talk on 'Atomic and molecular physics on quantum computers', in the Department of Mathematics, NIT Agartala, 2025. 

• CP Violation in Elementary Particles and Composite Systems, Mahabaleshwar, 2013. 

• School and Discussion Meeting on Frontiers in Light-Matter Interactions, IACS, Kolkata, 2014. 

• Attended a one-week workshop on parallel computing, “Think Parallel”, organized by Centre for Development of Advanced Computing (C-DAC), Bangalore, 2016. 

• Attended the CNS Summer School (CNSSS 2017) in RIKEN, Tokyo, 2017. 

• Attended the workshop, 'Quantum Computing for Chemistry', organized by University of Strasbourg and QunaSys, 2022. 

Conferences organized

• Fundamental Sciences and Quantum Technologies using Atomic Systems (FSQT 2020). Conference link: sites.google.com/view/fsqt2020 

• Quantum Simulations and Computations with Cold Atoms (QSCCA 2022). Conference link: https://sites.google.com/view/qscca-2022/home 

• Part of the National Organizing Committee for the International Conference on Quantum Many-body Systems, 2025. Conference link: https://icqms2025.in/ 

Won the Best Thesis Award, for my PhD thesis titled, ‘The Search for the Electric Dipole Moment of the Electron in Mercury Halides Using the Relativistic Coupled Cluster Theory’, in the 22nd National Conference on Atomic and Molecular Physics (22nd NCAMP), held at IIT Kanpur, Kanpur, 2019. 

Life member of the Indian Society of Atomic and Molecular Physics (ISAMP). 

Early Career member of the American Physical Society (APS). 

• Physical Review X Quantum. 

• Physical Review Research. 

• Physical Review Applied. 

• Physical Review A. 

• Physical Review X Life. 

• Quantum. 

• SciPost Physics Lecture Notes. 

• EPJPlus. 

• Chemical Physics Letters. 

• Engineering Optimization. 

• Atoms. 

• Minerals. 

• Symmetry. 

• Entropy. 

• Applied Sciences.