CV

Education, research experience, awards, and selected publications.

Contact Information

Name Pulkit Joshi
Email pulkit.joshi@uni-jena.de
Website https://joshipulkit.github.io/

Experience

  • 2025 -

    Jena, Germany

    Postdoctoral Researcher
    Friedrich-Schiller-University Jena
    In Prof. Marek Sierka’s Computational Materials Science group, implementing density-functional and post-density-functional methods in TURBOMOLE.
    • Density-functional embedding for realistic environments and periodic electrostatics.
    • Method development for negative ion resonances and open-shell interactions.
  • 2024 - 2025

    Mumbai, India

    Research Associate
    Tata Institute of Fundamental Research
    • Continued work on beyond-RPA corrections and resonance theory after the PhD.

Summary

Theoretical and computational chemist. I work on density functional theory and many-body electronic-structure methods, with a focus on open-shell interactions, negative ion resonances, and density-functional embedding. Developer in TURBOMOLE.

Education

  • 2019 - 2024

    Mumbai, India

    PhD
    Tata Institute of Fundamental Research
    Chemical Sciences (Theory and Computation)
    Advisor: Prof. Vamsee K. Voora
    • Thesis on fifth-rung density functionals for open-shell intermolecular interactions and negative ion resonances.
  • 2017 - 2019

    Delhi, India

    MSc
    St. Stephen's College, University of Delhi
    Chemistry
  • 2014 - 2017

    Delhi, India

    BSc (Hons.)
    St. Stephen's College, University of Delhi
    Chemistry

Selected honors

  • JPCL Cover Article, Journal of Physical Chemistry Letters (May 2024)
  • CSIR Travel Grant, Council of Scientific and Industrial Research (2024)
  • International Travel Support, ANRF / SERB (2024)

Publications

  • 2024
    Taming Negative Ion Resonances Using Nonlocal Exchange-Correlation Functionals

    Nonlocal exchange-correlation functionals for temporary anion states and resonance stabilization.

  • 2024
    Generalized perturbative singles corrections to the random phase approximation method

    Perturbative singles corrections for noncovalent interaction energies of closed- and open-shell dimers.

  • 2023
    Necrosis-Inducing High-Valent Oxo-Rhenium(V) Complexes with Potent Antitumor Activity

    Synthesis and mechanistic analysis of high-valent oxo-rhenium(V) complexes with antitumor activity.

Skills

Research Areas: Density Functional Theory, Density Functional Embedding, RPA, Open-Shell Systems, Negative Ion Resonances
Software (Developer): TURBOMOLE: implementing density-functional and post-density-functional methods
Software (User): ORCA, CP2K, Psi4, CFOUR; Python, FORTRAN, Linux, SLURM