Kartick Ramakrishnan   (Oct 2020-Dec 2025, Prime Minister Research Fellowship (PMRF) Recipient) 

Current Position: Researcher, URSA Simulations Inc, Georgia, USA (Deep Tech Materials Discovery Start-up), Founder of Paramanu Sciences, India 

Education: B.Tech, Mechanical Engineering,  NIT Trichy, 2016

Research Interests: Development of computational and data-driven methods for ab initio material modelling at larger length and time-scales, Finite-element methods and HPC-centric algorithms for PAW (projector-augmented wave) formalism in DFT,  Applications to energy-storage materials, Lead developer of Gordon Bell Prize-winning DFT-FE open-source code.

Read more about Kartick's work in his webpage

Nikhil Kodali   (Joined Aug 2021, Prime Minister Research Fellowship (PMRF) Recipient)

(Thesis submitted)

Education: B.Tech, Electrical Engineering,  IIT Bombay, 2017

Research Interests:   Finite-element methods for first principles materials modelling involving non-collinear magnetism and spin-orbit coupling coupling in DFT,   Applications to ab initio modeling of device materials,  Algorithms for mixed precision eigensolvers, Quantum HPC algorithms in Quantum-centric supercomputing era, Lead developer of Gordon Bell Prize winning DFT-FE open-source code.

Read more about Nikhil's work in his webpage

Gourab Panigrahi   (Joined Aug 2021, Prime Minister Research Fellowship (PMRF) Recipient)

(Thesis submitted)

Education: B.S & M.S, Physics,  IISc Bangalore, 2019

Research Interests: Hardware-aware matrix-free algorithms for accelerating iterative eigenvalue solvers and linear solvers on heterogenous architectures, Applications to solvers employed in quantum modeling of materials,  High-performance computing, Low-level CUDA/HIP/SYCL kernel programming on modern GPU architectures, Contributor to Gordon Bell Prize winning DFT-FE open-source code.

Read more about Gourab's work in his webpage

Srinibas Nandi   (Joined Aug 2023)

Education: B.Tech , Chemical Engineering, IIT Delhi, 2021;  M.Tech, Chemical Engineering,  IISc Bangalore, 2023

Research Interests: Fast and scalable computational methods for meta-GGA DFT functionals, Preconditioned mixing schemes for non-linear eigenvalue problems arising in quantum modelling of materials, Accelerating DFT problems on hybrid quantum-classical architectures. Contributor to Gordon Bell Prize winning DFT-FE open-source code

Read more about Srinibas's work in his webpage

Nishant Gupta   (Joined Jan 2025, TCS Research PhD Fellowship Recepient )

Education: B.Tech , Chemical Engineering, NIT Hamirpur, 2020;  M.Tech, Chemical Engineering,  IISc Bangalore, 2022

Research Interests: HPC and AI accelerated methods for ab initio calculations, Computational methods for accelerating DFT calculations using implicit solvation models. Contributor to Gordon Bell Prize winning DFT-FE open-source code

Atharva Hingane   (Joined Jan 2026)

Education: B.S & MS, Physics, IISER Mohali, 2024;  

Research Interests: Real-space computational methods for hybrid functionals using finite-elements,  Quantum Algorithms, HPC

Aryan Verma   (Joined Aug 2026)

Education: B.Tech, Electronics and Communication Engineering, IIT Guwahati, 2023;  

Research Interests: HPC, Computational Physics, Quantum computing

Sai Anirudh Guttapalli   (Joined Aug 2025)

Education: BTech, Materials Engineering, IIT Bhubaneswar, 2025

Research Interests:  Real-space finite-element computational methods for non-local vDW DFT functionals, Ab-initio modeling of functional materials.

Sruthi Sagar   (Joined Aug 2026)

Education: BTech, Mechanical Engineering, IIT Madras, 2025

Suyash  (Joined Aug 2026) 

Education: BS+MS, Physics, IIT Kharagpur, 2026

Soham Bhandary   (Joined Aug 2026) [External Registration from TCS Research]

Education: BTech, Electronics and TeleCommunication, Jadavpur University, 2023

Raj Maddipati   (Oct 2020 - June 2026 with Prof. Konduri Aditya) 

Current Position:  Computational and Data Scientist, ExxonMobil, Bangalore

Education: MTech, Aerospace Engineering, IIT Kanpur, 2020

Research Interests: Multiscale modeling, Reactive molecular dynamics, combustion physics

Keerthi Bali   (Joined Aug 2025 with Prof. Ananth Govind Rajan (IMI Program))

Education: MSc, Physics, Sri Venkateswara University

Research Interests: Electrocatalysis applications using DFT and AI/ML techniques

Aadithya Iyer (Joined Aug 2025)

Education: B.Tech Mechanical Engineering, BITS Pilani (Goa Campus), 2024

Dissertation Project Topic: HPC Acceleration of Quantum Emulators for solving eigenproblems 

Ayush Kumar (Joined Aug 2025)

Education: BS Material Science, IISc Bangalore, 2025

Dissertation Project Topic: Hybrid ML-Physics methods for accelerated materials discovery

G Sushanth (Joined Aug 2025)

Education: BS+MS, Physics,  IISER Kolkata, 2024

Dissertation Project Topic: Time evolution algorithms for solving linear and non-linear eigenproblems

Tathagata Ghosh (Joined Aug 2025)

Education: B.Tech, Information Technology, IIEST Shibpur, 2024

Dissertation Project Topic: GPU accelerated parallel algorithms for Tensor decompositions 

Mehul Darak 

Education: BS+MS, Materials Science, IISc Bangalore (ongoing)

Interests:  Active-learning workflows for ML-based modelling of complex material systems, Battery electrode-electrolye interface modeling using ML workflows with DFT-FE,  Socket based ASE interface to DFT-FE