Research Associates

Dr. Arpan Das


Arpan did his schooling from Deulpur High School, Howrah, West Bengal. He obtained his B.Sc. degree in 2016 with a major in Physics from Uluberia College (University of Calcutta) and M.Sc. degree in 2018 in Physics from Ramakrishna Mission Residential College, Narendrapur (Autonomous) (University of Calcutta). He joined as a Ph.D. student in 2018 in the Computational Nanoscience group led by Prof. Shobhana Narasimhan at TSU, JNCASR. 

Arpan obtained his Ph.D. degree from JNCASR, Bangalore in April, 2024 under the supervision of Prof. Shobhana Narasimhan. Thesis title: "Density Functional Theory Calculations of Doped, Alloyed, and Heterostructure Systems". 


Research area: 

(i) Density Functional Theory (DFT) calculations of metal surfaces, metal atoms deposited on metal surfaces, compare the superstructures with the low energy electron diffraction (LEED) experiments and simulations of Angle-resolved photoemission spectroscopy (ARPES) data and compare with the DFT calculated electronic structure. 

(ii) Structural, electronic, magnetic, vibrational and photoluminescence properties of pristine and doped halide perovskite materials using DFT and Density Functional Perturbation Theory (DFPT). 

(iii) Optical properties of halide perovskites using DFT. 

(iv) Electronic and magnetic properties of two-dimensional electron gas (2DEG) formed at the interface of different oxide perovskites using DFT. 

(v) Self-assembly of organic molecules on metal surfaces and DFT simulations of Scanning tunneling microscope (STM) images. 




Google scholar:



Dr. Devina Sharma

Research Interest:

Devina's research focuses on DFT calculations of organic molecules on surfaces, as well as on defects found in two-dimensional materials.