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QBiCon · IIN · Northwestern Chemistry

Subhajyoti Chaudhuri

Theoretical & computational scientist working at the intersection of quantum and statistical physics. Interested in everything quantum (physics/chemistry/biology) and complex.

Subhajyoti Chaudhuri
BasedEvanston, IL CenterInternational Institute for Nanotechnology PhDYale, 2020 · Batista Group

01 — About

Methods for the messy, the disordered, and the quietly beautiful.

Position
Thrust Leader, Quantum Biosciences Consortium
IIN Fellow, Northwestern University
Visiting Researcher, NYU Abu Dhabi
Mentor
George C. Schatz
Songi Han
Independent thrust
IIN Center for Nanocombinatorics
Earlier
PhD, Yale Chemistry · Mentor, Victor Batista · 2020
Earlier still
Jadavpur University · Kolkata, India
University of Calcutta · Kolkata, India
ORCID
0000-0001-8297-1123

I develop methods — drawn from electronic-structure theory, statistical physics, stochastic dynamics, graph algorithms, and machine learning — to study how charge, spin, and energy move through complex, disordered systems.

Recent advances in machine learning and molecular dynamics have made the study of nuclear structure–function correlations tractable in systems we used to consider hopeless. I want to do the same for electronic properties: predicting, designing, and understanding emergent behaviour in matter that resists clean theoretical handles.

I am equally interested in how, what, and why. Given a choice, I prefer the wrong answer with an honest reason over the right answer with a shrug.

Outside of work I take photographs, paint, play several instruments poorly and a few sports adequately. I read, often. I dislike broccoli with conviction.

02 — Research

Four threads, one question: where does the electron, spin, and energy go, and why?

i.

Foundations of quantum biology

Electronic-structure theory coupled with stochastic and graph-based methods to follow excitations through complex biological systems where order is the exception, not the rule. I want to understand how and why evolution chose those pathways.

DFT/TDDFT kMC Marcus theory graph algorithms spin dynamics
ii.

Physics-informed machine learning

Coupling classification, regression, and dimensionality reduction with the physics a system must obey. I am interested in what the model is actually learning — and whether it can predict emergent properties at all.

GNNs active learning symmetry priors uncertainty
iii.

Inverse design for sustainability

Theory-led design of molecules and materials for renewable energy, critical-metal separations, and electronic-waste reuse. Large-scale screening of materials and processes related to sustainability.

photoredox rare earth elements perovskites qubits
iv.

Emergent electronic properties

When does a collection become a system? Excitonic behaviour in organic frameworks, plasma-driven electrochemistry, and light-energy-matter interactions in general — work that asks where collective phenomena begin.

excitons polymers plasma chemistry photophysics

03 — Recent Publications

Recent work — full list on Google Scholar.

    04 — Service

    Building rooms where good theory gets shared.

    *Northwestern Theory Seminar*
    If you have exciting research to share with the Northwestern theoretical chemistry community, or if you are a theorist on a tenure tour and would like to stop by Northwestern to give a seminar, send me an email with [NUTCSS] somewhere in the subject line.
    2026 –

    Theory Thrust Leader — QBiCon

    I run the Quantum Biosciences Consortium together with Songi Han that brings together researchers across the globe working on quantum biology. [Join us for our flagship event QBi2 this October in Chicago. Register at https://qbisquared.com].

    2023 -

    Theoretical Chemistry Seminar Series

    I organize TCSS with Todd Gingrich and Roel Tempelaar — a venue for theoretical and computational research at Northwestern. If you have something exciting to share, get in touch!

    Continuous

    Mentoring

    I mentor graduate and undergraduate researchers globally through Yale Cross Campus and Lindau Mentoring Hub. I am also actively involved in training and mentorship of students from various theoretical and experimental chemistry groups at Northwestern University.

    Continuous

    Reviewing

    I peer-review research articles for leading physical and chemical science journals like JACS, Chemical Science, Chemical Communications, Journal of Chemical Physics, Journal of Chemical Theory and Computation etc.

    Say hello.

    Find me Northwestern University
    Ryan Hall · Rm. 4033
    2190 Campus Drive
    Evanston, IL 60208