cv

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Basics

Name Arup Sarkar
Label Marie Skłodowska-Curie Postdoctoral Fellow
Email arsarkar@tcd.ie; arupsarkar1398@gmail.com
Phone +353 899704338
Url https://arupsarkar91.github.io/
Summary Computational Chemist

Work

  • 2024.10 - Present
    Marie Skłodowska-Curie Postdoctoral Fellow
    School of Physics, Trinity College Dublin
    Spin-phonon coupling in magnetic materials
    • Lattice Dynamics
  • 2023.11 - 2024.09
    Postdoctoral Researcher
    Max Planck Institute for Polymer Research
    Investigating perovskites and its solar cell application using DFT
    • Prevoskite
  • 2021.10 - 2023.09
    Postdoctoral Researcher
    The University of Chicago
    Investigated spin-crossover properties in a Cr-dimer using multiconfiguration pair-density functional theory (MC-PDFT).
    • Sarkar, A. et. al.,J. Am. Chem. Soc. 2023, 145, 41, 22394–22402
  • 2021.03 - 2021.08
    Institute Postdoctoral Fellow
    Indian Institute of Technology Bombay
    Investigated spin-vibronic coupling in three-coordinated Mn(III) and Cr(II) complexes
    • Sarkar et. al., Inorg. Chem. 2021, 60, 13, 9680–9687
  • 2018.09 - 2018.11
    UGC-UKIERI Student Exchange at Euan Brechin's group
    School of Chemistry, The University of Edinburgh
    Investigated magnetic interactions of small paramagnetic ions within Metallo-supramolecular M4L6 tetrahedral cages
    • Scott J. Aron et. al., Chem. Sci., 2021, 12, 5134-5142

Education

  • 2015.07 - 2021.02

    Maharashtra, India

    PhD
    Indian Institute of Technology Bombay
    Computational Chemistry, Molecular Magnetism, Multireference methods
    • Molecular spectroscopy, Symmetry in Chemistry, Inorganic complexes, Quantum Chemistry

Awards

  • 2014.06.14
    CSIR-UGC NET
    Council for Scientific and Industrial Research
    Awarded CSIR Junior Research Fellowship in July 2015 and Senior Research Fellowship in August 2017.
  • 2024.02.14
    MSCA Postdoctoral Fellowship
    Marie Skłodowska-Curie Actions
    AMBER researchers and supervisors have been successful in the 2023 MSCA Postdoctoral Fellowship Awards. Marie Skłodowska-Curie Actions Postdoctoral Fellowships support career perspectives and excellence of postdoctoral researchers.

Skills

Softwares
PySCF
ORCA
OpenMolcas
VASP
CP2K
Gaussian

Languages

Bengali
Native speaker
English
Fluent
Hindi
Fluent
German
A1.1

Interests

Chemistry
Quantum Chemistry
Multiconfiguration (MCSCF) methods
Single-Molecule Magnets
Density Functional Theory
Transition Metal complexes
Lanthanides and Actinides
Metal-Organic Frameworks

References

Prof. Gopalan Rajaraman
Department of Chemistry, IIT Bombay, Email: rajaraman@chem.iitb.ac.in
Prof. Laura Gagliardi
Richard and Kathy Leventhal Professor of Chemistry and Molecular Engineering, The University of Chicago, 5735 S Ellis Ave, Chicago, IL, USA. Email: lgagliardi@uchicago.edu
Prof. Euan K. Brechin
Professor of Coordination Chemistry, EaStCHEM School of Chemistry, The University of Edinburgh, David Brewster Road, Edinburgh, EH93FJ, Scotland UK . Email: e.brechin@ed.ac.uk
Prof. Maheswaran Shanmugam
Department of Chemistry, IIT Bombay, Email: eswar@chem.iitb.ac.in
Prof. Achintya Kumar Dutta
Department of Chemistry, IIT Bombay, Email: achintya@chem.iitb.ac.in
Prof. John S. Anderson
Department of Chemistry, The University of Chicago, Email: jsanderson@uchicago.edu
Prof. Denis Andrienko
Organics Electronics (Department: Blom Group), Max Planck Institute for Polymer Research, Email: denis.andrienko@mpip-mainz.mpg.de

Projects

  • 2015.08 - 2021.02
    Molecular Magnetism
    Investigation of the origin of magnetic anisotropy and magnetic exchange in transition metal and lanthanide-based coordination complexes using DFT and ab initio (CASSCF/NEVPT2) methods.
    • Arup Sarkar, Sourav Dey and Gopalan Rajaraman*, Chem. Eur. J. 2020, 26, 14036-14058