Romit Chakraborty

Quantum Chemist & AI Researcher • Founder & CEO at Point Reyes Sound, Inc.

Email: romit@pointreyessound.com • Academic: romit@uchicago.edu

Professional Profile

Quantum chemist and architect of phase-space electronic structure theory. My research develops Quantum Boltzmann Equation (QBE) solvers that regularize mean-field singularities and scale the exponential walls of strongly correlated quantum matter. Building on postdoctoral research at UC Berkeley and doctoral training at the University of Chicago, I now direct Point Reyes Sound, Inc.

Skills & Methodologies

HPC (2012–now): Python, C++, MPI, Slurm, GPU Acceleration, Linux
Quantum Simulation (2012–now): FTQC, QEC, Quantum Boltzmann Equation (QBE)
Data Pipelines (2022–now): Vector Databases, ChromaDB, Azure
ML Infrastructure (2023–now): PyTorch, JAX, LLMs, LoRA

Research & Professional Experience

Founder & CEO — Point Reyes Sound, Inc. (June 2026 – Present, San Francisco, CA)

Phase-Space Electronic Structure: Formulated a Hessian-free orbital optimization framework utilizing continuous phase-space fluid advection and the Bhatnagar-Gross-Krook (BGK) collision operator to autonomously regularize mean-field singularities.
Quantum Boltzmann Entrainment Tensor (QBET): Developed a framework coupling classical phase-space relaxation to an active-space quantum core, circumventing combinatorial active-space expansion and demonstrating monotonic CASSCF orbital convergence on multireference dissociation benchmarks up to 254-orbital basis sets.
Solid-State k-Space Decoupling: Generalized the phase-space transport engine for periodic crystalline systems by projecting continuous Wigner distributions onto cGTOs, mapping multidimensional transport to decoupled matrix relaxations across the Brillouin zone.

Senior Quantum Solutions Chemist — PsiQuantum, Corp. (Oct 2024 – Mar 2025, Palo Alto, CA)

Translated quantum chemical models of correlated electron systems into algorithmic compilation pipelines and active-space resource estimation frameworks for fault-tolerant quantum hardware architectures.

Staff Researcher in Quantum AI — University of Chicago (Nov 2023 – Oct 2024, Chicago, IL)

Physics-Grounded Generative Workflows: Led the development of an equivariant framework conditioning generative models on exact physical invariants (molecular geometry, charge/spin multiplicity, point-group symmetry) to mitigate out-of-distribution mode collapse.
Physical Symmetry Integration: Integrated point-group and rotational symmetries into multimodal foundation models, securing Microsoft Azure Accelerate Foundation Models Research funding for automated quantum chemical discovery.
Structural Verification Metrics: Designed deterministic validation protocols for synthetic molecular configurations, evaluating model fidelity against exact graph automorphisms and quantum chemical invariant sets rather than heuristic approximations.

Postdoctoral Research Fellow — UC Berkeley & Lawrence Berkeley National Laboratory (2017 – 2023, Berkeley, CA)

MOF Chemistry: Modeled dihydrogen binding and multi-ligand coordination at open metal sites (V(II), Cu(I)) in metal-organic frameworks under Prof. Martin Head-Gordon, validating predictions against experimental neutron scattering and adsorption isotherms (JACS, PCCP Hot Article).
Free Energy Decomposition: Formulated an Absolutely Localized Molecular Orbital Free Energy Decomposition Analysis (ALMO-FEDA) to resolve vibrational and entropic driving forces in non-covalent binding thermodynamics (J. Phys. Chem. Lett.).
Quantum Chemistry Software: Co-developed modular quantum chemistry capabilities for open-shell and correlated electronic structure as a code contributor to the open-source Q-Chem 5 package (J. Chem. Phys.).

Education & Academic Training

University of Chicago (2012–2017): MS, Ph.D. in Theoretical and Computational Quantum Chemistry (Advisor: Prof. David A. Mazziotti)
Indian Institute of Technology Bombay (2009–2012): Master of Science in Chemistry
St. Stephen's College, University of Delhi (2006–2009): B.Sc. (Hons) in Chemistry, with Physics and Mathematics

Awards, Fellowships, & Grants

Fall 2023: Accelerate Foundation Models Research Grant (Microsoft Azure / Microsoft Research)
Summer 2023: Award for Contributions to Inclusion in Science and Society (Lawrence Berkeley National Laboratory)
Summer 2023: EOI for Independent Early Career Fellowships (University of Oxford, UK)
Fall 2015: Arts, Science and Culture Graduate Fellowship (University of Chicago, USA)
Summer 2009: Lindau Graduate Fellowship (German Research Foundation / DFG, 59th Lindau Nobel Laureate Meeting)

Peer Review & Professional Service

Peer Review: Nature Communications (2022), Journal of Chemical Theory and Computation (2023), Molecular Physics (2018–2020), Journal of Physics: Condensed Matter (2017)
Memberships: American Physical Society (APS), California Section of the American Chemical Society (Councillor Alternate 2023–2026, Program Book Coordinator WRM 2025, Member at Large 2026–2027), Project SEED (2025–2026)