Arup Sarkar
SRM University, Andhra Pradesh, Trinity College Dublin, Indian Institute of Technology Bombay, Max Planck Institute for Polymer Research
Research areas: Chemistry · Inorganic Chemistry · Crystal structures of chemical compounds · Crystallography and molecular interactions · Crystal Structures and Properties
0000-0002-6880-8220
About
I started as an Assistant Professor at the Centre for Interdisciplinary Research (Chemistry) at SRM University, Andhra Pradesh, India, from 1st April 2026. Our research group aims to understand the spin dynamics based on spin relaxation theory for various materials, such as MOFs/COFs, using an ab initio quantum chemistry approach.
I completed my Bachelor’s degree in Chemistry with honours from Seth Anandram Jaipuria College, the University of Calcutta, West Bengal, India, in 2012. I completed my Master’s degree in Inorganic Chemistry at the University of Calcutta (Rajabazar Science College, Kolkata) in 2014. Then I moved to the Indian Institute of Technology Bombay, Mumbai, in 2015 to conduct my Ph.D. research with Prof. Gopalan Rajaraman at the Department of Chemistry. My research interests during my PhD include the investigation of Spin-Hamiltonian parameters in single-molecule magnets containing transition metal and lanthanide coordination complexes using ab initio (CASSCF/MRPT2) and DFT methodologies. In 2021, I joined the University of Chicago as a postdoctoral researcher to work with Prof. Laura Gagliardi. There, I explored spin transition properties of a binuclear transition metal complex, excited states of actinide systems using multi-configuration pair-density functional theory (MC-PDFT) and also investigated the band structure in redox-active 2D/3D metal-organic frameworks (MOFs) using periodic DFT. After that, I spent about a year at the Max Planck Institute for Polymer Research, Germany, from November 2023 to September 2024, to join the Organic Electronics group with Prof. Denis Andrienko as a Postdoctoral Researcher, where I explored the photoluminescent properties and hole transport properties in perovskite systems using DFT. I was a Marie Curie Postdoctoral Fellow in the Quantum Materials Dynamics group with Prof. Alessandro Lunghi at the School of Physics, Trinity College Dublin, Ireland, from October 2024 to March 2026.
Employment
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SRM University, Andhra Pradesh Assistant Professor2026 - Present
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Trinity College Dublin Marie Curie Postdoctoral Fellow2024 - 2026
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Max Planck Institute for Polymer Research Postdoctoral Researcher2023 - 2024
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The University of Chicago Postdoctoral Scholar2021 - 2023
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Indian Institute of Technology Bombay Postdoctoral Researcher2021 - 2021
Education
- 2015 - 2021
Projects & Funding
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Quantum Sensing with Metal-Organic Frameworks: DFT, Molecular Dynamics and Machine Learning Exploration European Commission2024 - 2026
Publications (54)
- Crystalline Dion-Jacobson 2D Layered Sn-Based Perovskites for Field-Effect Transistors Save
- Impact of the Ligands’ Electronic Dipole Moment on Electrochemical p-Doping of CsPbBr3 Nanocrystals Save
- Optimizing Carrier Balance in CsPbBr3 Nanocrystal LEDs: The Role of Alkyl Ligands and Polar Electron Transport Layers Save
- A Multireference Picture of Electronic Excited States in Vanadyl and Copper Tetraphenyl Porphyrin Molecular Qubits Save
- Ion-Reconfigurable "N"-Shaped Antiambipolar Behavior in Organic Electrochemical Transistors Save
- Trinuclear ZnII-LnIII Complexes: Single-Ion Magnet Behavior in the Zn2Dy Analogue Save
- A homoleptic Fe(iv) ketimide complex with a low-lying excited state Save
- Multiconfiguration Pair-Density Functional Theory for Vertical Excitation Energies in Actinide Molecules Save
- Understanding Antiferromagnetic and Ligand Field Effects on Spin Crossover in a Triple-Decker Dimeric Cr(II) Complex Save
- Elucidating Actinide–Pertechnetate and Actinide–Perrhenate Bonding via a Family of Th–TcO4 and Th–ReO4 Frameworks and Solutions Save
- Understanding Antiferromagnetic and Ligand Field Effects on Spin Crossover in a Triple-decker Dimeric Cr(II) Complex Save
- Broad Electronic Modulation of Two-Dimensional Metal–Organic Frameworks over Four Distinct Redox States Save
- Theoretical Investigation of Single-Molecule-Magnet Behavior in Mononuclear Dysprosium and Californium Complexes Save
- Broad Electronic Modulation of 2D Metal-Organic Frameworks Over Four Distinct Redox States Save
- Theoretical study of the formation of metal-oxo species of the first transition series with the ligand 14-TMC: driving factors of the "Oxo Wall" Save
- Linker Redox Mediated Control of Morphology and Properties in Semiconducting Iron‐Semiquinoid Coordination Polymers** Save
- Linker Redox Mediated Control of Morphology and Properties in Semiconducting Iron‐Semiquinoid Coordination Polymers** Save
- Role of Metal Selection in the Radiation Stability of Isostructural M-UiO-66 Metal–Organic Frameworks Save
- Multiconfiguration Pair-Density Functional Theory for Chromium(IV) Molecular Qubits Save
- Electric-Field-Induced Solid-Gas Interfacial Chemical Reaction in Carbon Nanotube Ensembles: Route toward Ultra-sensitive Gas Detectors Save