Gitam
Search
User
Employee Login Parent Login Student Login Payments
Gitam
close
Rudraditya Sarkar

Rudraditya Sarkar

Assistant Professor

Department of Chemistry

GITAM School of Science

Hyderabad

Education

Ph. D.

Dr. Rudraditya Sarkar earned his B.Sc. (2009) and M.Sc. (2011) in Chemistry from Visva-Bharati University, completing his M.Sc. project under Prof. Pranab Sarkar. He obtained his Ph.D. (2017) from the University of Hyderabad under Prof. Dr. Susanta Mahapatra. After postdocs in France, the UK, and Spain, including a Maria Zambrano fellowship, he joined GITAM University in 2024 as an Assistant Professor. His research spans basis set development, ML for excited states, and benchmarking NLOPs.

Research Publications

  • R. Sarkar, P. -F. Loos, M. Boggio-Pasqua*, D. Jacquemin∗, “Assessing the Performances of CASPT2 and NEVPT2 for Vertical Excitation Energies”, (2022), J. Chem. Theory Comput, 18, 2418-2436, 2022. ISSN No: 1549-9618, Impact factor: 6.006 (2022). DOI: https://doi.org/10.1021/acs.jctc.1c01197
  • R. Sarkar, M. Boggio-Pasqua, P. -F. Loos*, D. Jacquemin∗, “Benchmarking TD-DFT and Wave Function Methods for Oscillator Strengths and Excited-State Dipole Moments”, (2020), J. Chem. Theory Comput. 17, 1117−1132, 2021, ISSN No: 1549-9618, Impact factor: 6.006 (2022). DOI: https://doi.org/10.1021/acs.jctc.0c01228.
  • R. Sarkar*, M. C. Heitz, M. Bogio-Pasqua*, “Absorption band structure of the photochromic dimethyldihydropyrene /metacyclophanediene couple. Insight from vibronic coupling theory,” J. Chem. Phys.157, 224303, 2022, DOI: https://doi.org/10.1063/5.0125114, ISSN No: 1089-7690, Impact factor: 4.034 (2021).
  • A. Kumar, P. Karmakar, R. Sarkar*, T. R. Rao*, “Photodetachment band of fluorenyl anion: A theoretical rationalization”, Phys. Chem. Chem. Phys., 25, 20668, 2023. DOI: https://doi.org/10.1039/D3CP01031G, ISSN No: 1463-9076, Impact Factor: 3.676 (2021).
  • A. Álvarez-Núñez, R. Sarkar, V. Dantignana, J. Xiong, Y. Guo, J. M. Luis*, M. Costas*, and A. Company*, Intramolecular C–H oxidation in iron(V)-oxo-carboxylato species relevant in the γ-lactonization of alkyl carboxylic acids, ACS Catal. 14, 14183, 2024. ISSN No: 2155-5435, Impact Factor: 11.3 (2024).

Expertise

  • Check Icon Computation Chemistry, Data Curation, Non-linear Optical Properties, Non-adiabatic Dynamics, Machine Learning
Scroll to top