Doctoral Candidates (DCs)

PANIONS is a large association with focus in research in anionic systems, which have their applications from astrophysics to material sciences. DFT is an important part of material science research. However, modified/hybrid DFT approaches are becoming increasing popular allowing us to study variety of systems, not only in terms of physical accuracy but also in terms of system sizes and computational efficacy. This PANIONS PhD will train me to study hybrid approaches for electronic systems which will allow me to study complex systems like open anionic systems, which has its applications in quantum computing and condensed matter. This will make me fit in becoming an independent researcher in material science.

Sohan Sengupta

DC13: Density functional theory of anions

The Hebrew University of Jerusalem (HUJI)

My journey in the world of research began from the days of my bachelor’s degree. I completed integrated bachelor and master of Science in theoretical physics from Indian Institute of Science Education and Research – Kolkata, India (2017-2022). To improve my computational competence, I completed another master degree in Computational Physics from University of Marie and Louise Pasteur, France (2023-2025). My research focus is in computational physics and quantum chemistry, particularly in open quantum systems. I have done 5 internships during my BS-MS and 2 internships during my CompuPhys, which included numerical simulation of time evolving spin chains in 3D Heisenberg’s magnets. From this PhD, I am expecting to apply DFT and modified DFT methods in studying anionic systems which is important in material science. I would like to work in academia in material science. However, I am also open to industrial research roles.

Supervisor: Prof. Roi Baer

Comenius University Bratislava, Slovakia

Supervisor: L.F. Pašteka

Duration: 2 months

Purpose: Gain insight into theoretical calculations of structure and properties of negatively charged atoms and molecules.

Q-CHEM, Inc., USA

Supervisor: A. Krylov

Duration: 2 months

Purpose: Exposure to industrial applications of computational chemistry.