PhD Students:
PhD Students:
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Kartick Ramakrishnan (Joined Oct 2020, PMRF Fellow)
Kartick Ramakrishnan (Joined Oct 2020, PMRF Fellow)
Education: B.Tech, Mechanical Engineering, NIT Trichy, 2016
Education: B.Tech, Mechanical Engineering, NIT Trichy, 2016
Research Interests: Development of computational and data driven methods for ab initio material modeling at larger length and time-scales, Applications to energy-storage materials, Multi-scale modelling methodologies , High-performance computing, 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, PMRF Fellow, Previously CSIR Fellow)
Nikhil Kodali (Joined Aug 2021, PMRF Fellow, Previously CSIR Fellow)
Education: B.Tech, Electrical Engineering, IIT Bombay, 2017
Education: B.Tech, Electrical Engineering, IIT Bombay, 2017
Research Interests: Novel finite-element based computational methods for large-scale quantum modelling of materials incorporating magnetism and spin-orbit coupling, Applications to ab initio modeling of device materials, Mixed precision eigensolvers, Large-scale scientific computing, Quantum Computing based algorithms, 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, PMRF Fellow)
Gourab Panigrahi (Joined Aug 2021, PMRF Fellow)
Education: B.S & M.S, Physics, IISc Bangalore, 2019
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 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)
Srinibas Nandi (Joined Aug 2023)
Education: B.Tech , Chemical Engineering, IIT Delhi, 2021; M.Tech, Chemical Engineering, IISc Bangalore, 2023
Education: B.Tech , Chemical Engineering, IIT Delhi, 2021; M.Tech, Chemical Engineering, IISc Bangalore, 2023
Research Interests: Fast and scalable computational methods for solving non-linear eigenvalue problems with applications to material modelling using density functional theory, 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)
Nishant Gupta (Joined Jan 2025)
Education: B.Tech , Chemical Engineering, NIT Hamirpur, 2020; M.Tech, Chemical Engineering, IISc Bangalore, 2022
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
Joint PhD students:
Joint PhD students:
Raj Maddipati (Joined Oct 2020 with Prof. Konduri Aditya)
Raj Maddipati (Joined Oct 2020 with Prof. Konduri Aditya)
Education: MTech, Aerospace Engineering, IIT Kanpur, 2020
Education: MTech, Aerospace Engineering, IIT Kanpur, 2020
Research Interests: Multiscale modeling, Reactive molecular dynamics, combustion physics
MTech (Research) students:.
MTech (Research) students:.
Sai Anirudh Guttapalli (Joined Aug 2025)
Sai Anirudh Guttapalli (Joined Aug 2025)
Education: BTech, Materials Engineering, IIT Bhubaneswar, 2025
Education: BTech, Materials Engineering, IIT Bhubaneswar, 2025
Research Interests: Computational science
MTech (Course) students:.
MTech (Course) students:.
Harshit Rawat (Joined Aug 2024)
Education: BS Mathematics and Physics, IIT Kanpur, 2023
Dissertation Project Topic: Novel fine-tuning and distillation strategies with graph neural networks for accelerated materials discovery
Naman Pesricha (Joined Aug 2024)
Education: B.Tech Mechanical Engineering, IIT Roorkee, 2023
Dissertation Project Topic: Parallel Algorithms for Tensor Decompositions
Webpage: https://pesricha.github.io/
Other Lab members:
Other Lab members:
Current Interns:
Mehul Darak (Dec 2024 -- current) [ BS, 3rd year, IISc Bangalore]
Project Associate/Long-term Intern Alumni Members:
Project Associate/Long-term Intern Alumni Members:
Rudra Panch (Intern: June 2024 - June 2025) [Currently working at Hero Honda Motors]
Kartikeya Srivastava (Intern and Project Associate at MATRIX Lab: Aug 2022 - May 2024) [Currently a PhD student at UCLA, USA]
Gourab Panigrahi (Project Associate: Sept 2020 - July 2021) [Currently a PhD student at IISc, Bangalore]
Debashis Panda (Project Associate: Sept 2020 - July 2021) [Currently a PhD student at Imperial College, UK]
Kishore Nori (Project Associate: April 2021 - Jan 2022) [Currently a PhD student at Monash University, Australia]
Alumni MTech Students:
Alumni MTech Students:
Rushikesh Pawar (M.Tech CDS: Aug 2023 - June 2025) [Currently at Observe.Ai, Bangalore]
Dissertation Project Topic:
Test time domain adaptation frameworks using equivariant graph neural networks for accelerated materials discovery.
Nihar Shah (M.Tech CDS: Aug 2023 - June 2025) [Currently at LTI Mindtree, Bangalore]
Dissertation Project Topic:
A Hybrid quantum-classical algorithm for solving large sparse linear eigenvalue problems
Sundaresan (M.Tech CDS: Aug 2022 - June 2024) [Currently at Intel Research Labs, Bangalore]
[Institute Motorola Medal for highest CGPA and grade in dissertation project]
Dissertation Project Topic:
Communication-optimal parallel slicing algorithm for iterative solution of large-scale sparse eigenvalue problems.
Sayan Datta (M.Tech CDS: Aug 2022 - June 2024) [Currently at Qualcomm, Bangalore]
Dissertation Project Topic:
Efficient graph neural network frameworks for accelerated atomic force and energy predictions in molecular systems
Ashish Rout (M.Tech CDS: Aug 2021 - June 2023) [Currently at Target, Bangalore]
[Reliance Foundation Fellow, Institute Motorola Medal for highest CGPA and grade in dissertation project)
Dissertation Project Topic:
Robust lightweight graph neural network-based frameworks for accelerating crystal structure prediction
Sameer Raju Khadatkar (M.Tech CDS: Oct 2020 - June 2022) [Currently at Wells Fargo, Hyderabad]
[CDS Honorable mention award for excellent CGPA and grade in dissertation project)
Dissertation Project Topic:
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