Dr. Prasanjit Samal
Group LeaderResearch Interests
The research activity of our “Quantum Simulations Group (QSG)” is focused on theoretical and
computational condensed matter physics, primarily studying the electronic structure of atoms,
molecules and solids employing density functional methods. Materials design, including computing
electronic, magnetic and structural properties and responses from first principles using density
functional theory, molecular dynamics, many-body perturbation theory and other suitable quantum
many-body techniques.
Rabeet Singh
Postdoctoral Fellow (Jan 2018-Present)PhD Thesis Title: Adiabatic connection in density functional theory:fundamental aspects and applications
PhD Supervisor : Prof. Manoj Kumar Harbola at Indian Institute of Technology Kanpur
Emails : rabeet@niser.ac.in, rabeetsingh@gmail.com
Curriculum Vitae
ResearchGate
Google Scholar
orcid.org/0000-0001-5657-057XResearch Interests: My research is focused on studying theoretical and numerical aspects of electronic structure calculations. This includes the study of fundamental aspects of density functional theory by exploring the various techniques used to construct Kohn-Sham system for a given density, to understand the wavefunction to density functional connection through the Levy-Perdew-Sahni(LPS) equation. Along the same line we also study various accurate exchange-correlation functionals through the adiabatic connection in density functional theory.
Subrata Jana
PhD Student (2013-Present)Thesis Title : To be decided.
Emails: subrata.niser@gmail.com, subrata.jana@niser.ac.in
Curriculum Vitae
ResearchGate
Google Scholar
Personal Webpage
Research Interests: My research activity is focused on theoretical and computational condensed matter physics, primarily studying the electronic structure of atoms, molecules and solids employing density functional methods. Materials design, including computing electronic, magnetic and structural properties and responses from first principles using density functional theory, and other suitable quantum many-body techniques.
Abhilash Patra
PhD Student (2015-Present)Thesis Title: To be decided
Emails: abhilashpatra@niser.ac.in, apabpatra12@gmail.com
ResearchGate
Google Scholar
Research interests:- Density functional theory in lower dimensions, van der Walls interaction in DFT
Bikash Patra
PhD Student (2015-Present)Thesis Title: To be decided
Emails: bikash.patra@niser.ac.in
ResearchGate
Google Scholar
Research interests:- Long range corrected Hybrid functionals, Developing Pseudopotentials
Bharat Barik
PhD Student (2016-Present)Thesis Title : To be decided
Emails: bharat.barik@niser.ac.in
