<b>Dr. Nalini Gurav</b>
© Nalini Gurav
Dr. Nalini Gurav
Postdoctoral Researcher (IRTG 2027)
Benchmarking of subsystem and quantum embeddedding approaches for reaction mechanisms
Organisch-Chemisches Institut
Room 513
Corrensstraße 36
48149 Münster
T: +49 251 83 35338
nalini.g@uni-muenster.de

  • Curriculum Vitae

    from July 2022 Postdoctoral Researcher within IRTG 2027 (Münster-Toronto) in the group of
    Prof. Dr. Johannes Neugebauer, Organic Chemistry Institute, Westfälische Wilhelms-Universität, Münster, Germany
    May 2020 - May 2022 Project Assistant on C-DAC/NSM project at the Department of Scientific Computing, Modeling and Simulation (DSCMS), Savitribai Phule Pune University, India
    July 2019 - April 2020 Assistant professor (visiting) at Physics Department, Fergusson college (Autonomous), Pune, India
    2014-2019 Ph.D. Department of Physics, Savitribai Phule Pune University, India
    2011-2013 M.Phil. Department of Physics, Savitribai Phule Pune University, India
    2007-2010 M.Sc. Department of Physics, Savitribai Phule Pune University, India
    2005-2007 B.Sc. Physics Modern college of Arts, Commerce & Science, Savitribai Phule Pune University, India

     

  • Publications

    - Mini Bharati Ahirwar, Nalini D. Gurav, Shridhar R. Gadre, and Milind M. Deshmukh, "Shell Model for Estimating the Individual Hydrogen Bond Energies in Large Water Clusters", /Physical Chemistry Chemical Physics/ 24, 15462 (2022); https://doi.org/10.1039/D2CP01663J

    - Subodh S. Khire, Nalini D. Gurav, Apurba Nandi, Shridhar R. Gadre, "Enabling Rapid and Accurate Construction of CCSD(T)-Level Potential Energy Surface of Large Molecules Using Molecular Tailoring Approach", /Journal of Physical Chemistry A/ 126(8), 1458 (2022); https://doi.org/10.1021/acs.jpca.2c00025

    - Mini Bharati Ahirwar, Nalini D. Gurav, Shridhar R. Gadre, and Milind M. Deshmukh, "Molecular Tailoring Approach for Estimating Individual Intermolecular Interaction Energies in Benzene Clusters", /Journal of Physical Chemistry A/ 125, 6131 (2021); https://doi.org/10.1021/acs.jpca.1c03907


    - Nalini D. Gurav, Shridhar P. Gejji, and Rajeev K. Pathak "Electronic Stark Effect for a Single Molecule: Theoretical UV Response", /Computational and Theoretical Chemistry/, 1138, 23 (2018); https://doi.org/j.comptc.2018.05.018

    - Nalini D. Gurav, Shridhar P. Gejji, Libero J. Bartolotti, and Rajeev K. Pathak "Encaged molecules in external electric fields: a molecular ‘tug-of-war’", /Journal of Chemical Physics/, 145, 074302 (2016); https://doi.org/doi:10.1063/1.4960608

    - Nalini D. Gurav, Anant D. Kulkarni, Shridhar P. Gejji, and Rajeev K. Pathak, "CH3OH···(H2O)n [n=1-4] clusters in external electric fields", /Journal of Chemical Physics/, 142, 214309 (2015); https://doi.org/doi:10.1063/1.4921380