About Me
I am a computational physicist working on the development of electronic-structure and many-body methods for quantum materials. My research focuses on wave-function and Green’s-function approaches, tailored to capture thermal, disorder and relativistic effects. I place a strong emphasis on open-source, high-performance software, and currently work as the core-developer for GREEN software ecosystem, implementing methods that bridge first-principles theory with predictive materials modeling.
Experience
Core developer for the Green-Phys software package, leading implementations of new Green’s function methods, training new users, and optimizing performance for modern HPC architectures. Key products include the following flagship packages in the GREEN ecosystem:
- green-mbpt - first-principles GW and GF2 for solid-state systems
- green-mbtools - initialization and post-processing tools for many-body calculations in green-mbpt
Education
MS & PhD in Physics and Astronomy
Rice University, Houston, TX
Dissertation: Wave function theories for finite-temperature electronic structure
Key Publications:
- Developed wave function analogs to represent thermal ensembles, J. Chem. Phys. 150, 154109 (2019)
- Extended coupled cluster theory method to finite-temperature, J. Chem. Theory Comput. 2019, 15, 6127-6136
- Investigated the efficacy of variational and unitary coupled cluster methods on strongly correlated systems, for their potential application on near-term quantum computers, J. Chem. Phys. 148, 044107 (2018)
Bachelor of Technology in Physical Sciences
Indian Institute of Space Science and Technology, Thiruvananthapuram
Academic Highlights
- Institute Gold Medal for outstanding academic performance
- Director’s Gold Medalist for best all-round performance
Major Projects
- Non-linear semiclassical magnetization dynamics in nanoscale ferromagnets.
- Neural Network and Bayesian classification of ionospheric data sets.
Teaching & Mentoring
I have co-supervised student research in finite-temperature many-body theory and correlated topology:
- Yi Xu, undergraduate intern from Zhejiang University: thermal coupled cluster for spin systems, leading to a co-authored Physical Review B paper.
- Selina Dirnböck, master’s intern from TU Wien: topological α-Sn using self-consistent GW, leading to a co-authored preprint.
Both students have gone on to doctoral study. I have also onboarded 10–20 users of the GREEN software suite across our group and collaborating institutions.
At Rice University, I served as a teaching assistant for Introduction to Quantum Chemistry in Fall 2018, 2019, and 2020, designing and grading homework and exams and delivering selected lectures. I also taught introductory physics laboratory sections for engineering and pre-medical students over four semesters.
Honors
- 2025 — Best Poster Award, New Challenges for Ab-initio Theory in Molecular Sciences, Warsaw: “Describing Disorder and Correlation: Coherent Potential Approximation with Bloch Gaussians.”
- 2019 — Editor’s Choice, Journal of Chemical Physics: Thermofield theory for finite-temperature quantum chemistry.
- 2016 — Institute Gold Medal, Indian Institute of Space Science and Technology, for outstanding academic performance.
- 2016 — Director’s Gold Medal, Indian Institute of Space Science and Technology, for best all-round performance.