Ph.D Dr. ARUN KR PAL LinkedIn

Dr. ARUN KR PAL

Associate Professor, Associate Dean (Research) • Department of Chemistry

PhD from
Indian Institute of Technology Bombay
Years of Experience
11 Years
Contact Details
Availability
Mon-Wed (3-4 pm); Thur-Fri (11-12 am); Room: 10204/F67
Dr. Arun Kumar Pal is a theoretical and computational chemist with research experience in excited-state photophysics, molecular magnetism, and transition-metal reactivity. He earned his PhD from IIT Bombay (2015), where he studied magnetic exchange coupling in organic radicals and photomagnetic systems. He then held postdoctoral positions at IIT Kharagpur, State University of New York at Buffalo, IACS Kolkata, and IISER Kolkata. He is currently Associate Professor of Chemistry and Associate Dean (Research) at SR University, Warangal.

His research uses DFT, TD-DFT with optimally tuned range-separated functionals, multireference wavefunction methods, and coupled-cluster benchmarks. He applies them to singlet fission, thermally activated delayed fluorescence, symmetry-breaking charge separation, heavy-atom-free photosensitizers, and transition-metal catalysis. He has published 39 peer-reviewed papers (h-index 15, 12 as first author) in journals including Chemical Science, JCTC, Angewandte Chemie, and Inorganic Chemistry. Many of these come from close collaborations with experimental groups in spectroscopy, synthesis, and catalysis.

He works with major quantum-chemistry packages and programs in Python, and C. He taught quantum chemistry, spectroscopy, and computational chemistry at undergraduate and postgraduate levels. His current work focuses on designing organic radicals for molecular magnetism and qubit technologies.
Interests
Physical Chemistry Computational Quantum Chemistry
Research Areas
Molecular Magnetism Spectroscopy Computational Photochemistry Transition States
Student Supervision
Ph.D: 3 ongoing
Ph.D. in Theoretical and Computational Quantum Chemistry
2015
IIT Bombay
M.Sc. in Chemistry (Physical Special)
2011
The University of Burdwan
B.Sc. (Hons) in Chemistry
2009
The University of Burdwan
Associate Professor
08/2026-Present
SR University
Research Associate I
04/2026-07/2026
IISER Kolkata
Research Associate I
07/2023-04/2026
IACS Kolkata
Temporary Faculty
05/2022-06/2023
NIT Sikkim
Research Associate I
03/2021-04/2022
IACS Kolkata
SERB N-PDF
03/2019-02/2021
IACS Kolkata
Research Associate I
05/2018-02/2019
IACS Kolkata
SERB Indo-US PD
02/2017-05/2018
SUNY, Buffalo
Insitute PDF
10/2015-12/2016
IIT Kharagpur
  • → AI Assisted Problem Solving using Python
  • → Computational Chemistry
  • → Group Theory and Molecular Spectroscopy
  • → Quantum Chemistry and Computational Methods
  • → Electrochemistry: Fundamental and Application

Key Publications

VIEW MORE ↓

Research Projects/Patents

Calculations of Molecular Properties Related to the Spectroscopic Transitions: Organic Molecules and Materials
DST-SERB
Calendar February 2019
Computational Investigation of Molecular Response Properties of Organic Radicals
SERB-IUSSTF
Calendar September 2016

Awards & Achievements

1

Excellence in PhD Thesis

@53rd Convocation, IIT Bombay, August 08

2015