I am Ritaj Tyagi, a final-year Ph.D. researcher at the Department of Chemical Sciences, Tata Institute of Fundamental Research (TIFR), Mumbai, working with Dr. Vamsee K. Voora. My doctoral research focuses on the development and application of low-cost many-body electronic structure methods for molecular and condensed-phase systems. I have developed single-pole models and applied them to problems such as the electron affinity of solvated electron clusters, quantum confinement in nanoporous frameworks (e.g., COFs), electron/hole transfer in donor–bridge–acceptor systems, and the optical properties of defect centers in solids. More recently, I have extended these methods to periodic systems as well to study interfaces and bulk properties. I also contribute as a developer to the electronic structure packages TURBOMOLE and CP2K.
(For more details about my work and achievements, check out my Full CV.)
Integrated PhD - Tata Institute of Fundamental Research, Mumbai, India (2019-Present)
B. Sc. (Hons.) Chemistry - Ramjas College, University of Delhi, New Delhi, India (2016-2019)
School Education - Holy Child Public School, Rewari, Haryana, India (2016)
Developing low-cost algorithm based on many body perturbation theory methods for computing one particle properties and interaction energies.
Computing opto-electronic properties of molecules and solids with defects using TDDFT and GW-BSE.
Characterizing non-valence anion states in molecule and condensed phase systems like solvated electrons, ionic liquids, etc.
Developing model Hamiltonians for intermolecular interactions and electron transfer.
Mechanistic understanding of reactions using ab-initio density functional methods and techniques like nudge elastic band simulating experimental spectra such as NMR, IR, UV-Vis, and X-ray.
Sarojini Damodaran International Student Travel Fellowship
Best poster award in Theoretical Chemistry Symposium (TCS 2023), Chennai, India
Secured All India Rank 8 in IIT-JAM 2019
Secured All India Rank 7 in BHU-PET 2019
Batch topper of B.Sc. (Hons.) Chemistry program, Ramjas College, 2016-2019
Secured All India Rank 9174 in IIT JEE-ADVANCED 2016
Love to code and learning new parallelization techniques
Anime enthusiast, Naruto and Dragon Ball are my all-time favorites.
Love playing chess
Enjoy binge-watching web series