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Northwestern University · Materials Science & Engineering

At the intersection of
electron microscopy, machine learning,
and quantum computation.

4D/nD‑STEM acquisition, machine learning, and quantum algorithms — from the beam to the answer.

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Vision

From terabyte‑scale 4D/nD‑STEM datasets to structure, dynamics, and decisions: we treat the full beam‑to‑bit‑to‑answer path as a first‑class scientific instrument.

Principal Investigator

Roberto dos Reis, Ph.D.

Research Assistant Professor · Materials Science & Engineering · Northwestern

Roberto and collaborators work at the intersection of advanced electron microscopy and modern computation. Trained in physics at UFRGS‑Brazil, he completed postdoctoral work at the NCEM / Molecular Foundry, and now serves as scientific officer for the Dravid Group and architects 4D/nD‑STEM methods at the NUANCE Center.


Highlights

What's moving in the lab.

A snapshot of what we and our collaborators have put into the world lately — papers, code, methods, awards.

01PINN4D‑STEMPhysics‑informed neural networks reconstruct sparse strain fields from 4D‑STEM — fewer measurements, physically consistent results (arXiv:2608.01601).Newest preprint
023open‑sourceAdvancedEM & QuScope — methods for high‑res STEM and quantum‑inspired microscopy workflows now in active use.Code released
032026arXivMicrostructural topology as a quantum descriptor for coherence — a unified framework for decoherence in superconducting qubits (Dravid, Murthy, Rondinelli et al.).New preprint
044D→ nDEnd‑to‑end automated segmentation framework for 4D‑STEM datasets — the lab's answer to the data‑deluge problem.Method release

Data workflow & provenance

Every measurement carries its own history.

A microscope can produce terabytes in minutes. We build the workflow that keeps those bits interpretable — calibrations, geometry and analysis decisions travelling with the data, from detector to published figure.

Acquirescan · detectCaptureraw + metadataCurateFAIR containersComputereconstruct · learnInterpretfigures · decisionsprovenance loops back — every result is re‑runnable
01

Automated segmentation

End‑to‑end segmentation of four‑dimensional datasets, replacing hand‑drawn masks with a reproducible, parameterised pass over the full scan.

Reconstruction
02

Physics‑preserving phase retrieval

Symplectic neural networks that keep the Hamiltonian intact, so recovered phase stays physically meaningful rather than merely plausible.

Learning
03

Schema‑bound instrument control

A typed contract between language models and instrumentation: every action validated against a schema and logged, so machine‑driven experiments stay auditable.

Provenance
04

High‑throughput image pipelines

Batch characterisation of nanoparticle libraries — thousands of fields analysed under one versioned recipe with per‑image lineage.

Throughput
05

Quantum simulation of contrast

Variational circuits that simulate phase‑contrast image formation, benchmarking quantum routines against classical multislice.

Quantum
06

Open containers, open code

Self‑describing archives carrying calibration, scan geometry and detector state; notebooks published with the papers that used them.

Open

People

Who we are.

PIs, postdocs, students and frequent collaborators who keep the experiments and the code moving.

Roberto dos Reis

Principal Investigator

Roberto dos Reis

Research Assistant Professor and Lecturer at Northwestern MSE. Scientific officer for the Dravid Group at NUANCE. Builds quantum algorithms for electron microscopy and materials characterization, 4D/nD‑STEM methods. Ships open code as @rmsreis.

  • Northwestern · NUANCE Center
  • UFRGS · PhD Physics
Contact
Gabriel T. dos Santos

Postdoctoral Scholar

Gabriel T. dos Santos

In‑situ & low‑dose electron microscopy of metal–organic frameworks and protonic ceramic cells. Focus on state‑of‑the‑art methodology for beam‑damage mitigation and interface evolution at the nanoscale.

  • Northwestern · NUANCE Center
  • MOFs · in‑situ TEM
Contact
Sean D. Lam

Undergraduate Researcher

Sean D. Lam

Undergraduate researcher developing quantum algorithms and quantum machine‑learning techniques for microscopy simulation and analysis.

  • Colorado College · Physics & Chemistry
  • Quantum algorithms · QML for microscopy
GC

Master's Student · Northwestern MSE

Gino Cangialosi

Developing methods for autonomous microscopy using Physics Informed Neural Networks.

  • Northwestern · MSE
  • Physics Informed Neural Networks · Autonomous microscopy
Contact

Open Positions

Join the lab

We are recruiting PhD students, postdocs, and visiting scholars at the intersection of electron microscopy, machine learning, and quantum algorithms.

  • PhD positions · MSE / IEMS / Physics
  • Postdoc · 4D‑STEM · ML · Quantum
  • Undergraduate research
Apply →

Open source · github.com/rmsreis

Code we maintain.

Open‑source first. The lab maintains teaching material, research kernels, and quantum/AI pipelines. We publish notebooks alongside papers wherever possible.


Recent publications · 2026–2025

Selected work.

A short list, newest first. Full list on Google Scholar.

  1. 2026
  2. 2026

    Physics‑Informed Neural Networks for Sparse Strain‑Field Reconstruction in 4D‑STEM.

    dos Reis R, dos Santos G T, Liu Y, Hu X, Dravid V P. arXiv:2608.01601 [cond‑mat.mtrl‑sci].

  3. 2026
  4. 2026
  5. 2026
  6. 2026

    Microstructural Topology as a Prescriptor for Quantum Coherence: Towards a Unified Framework for Decoherence in Superconducting Qubits.

    Dravid V P, Murthy A A, Lim P, dos Santos G T, Mandia R, Rondinelli J M, et al. arXiv:2604.03951.

  7. 2026

    Structural Heterogeneity in Medium‑Entropy AgMnSbPbTe4 for Glassy Thermal Transport and High Thermoelectric Performance.

    Liu Y, Li Z, Sarkar D, Ribet S M, Zhao H, Xie H, Yanda P, Li J, Dong J, et al. Journal of the American Chemical Society.

  8. 2026

    Image processing pipeline for AI‑driven nanoparticle megalibrary characterization.

    Day A L, Wahl C B, dos Reis R, Li Y, Liao W, Dravid V P, Mirkin C A, et al. Scientific Reports.

  9. 2026

    EXAFS‑Resolved Node Asymmetry Links Local Distortions to Lattice Structure in High‑Entropy MOFs.

    Bhawnani R R, Reddy P K, Phister M, Dhakal A, Barsoum M L, Dandu N, et al.

  10. 2026

    Seeing the Invisible — Understanding Thermoelectric Materials through Scanning Transmission Electron Microscopy.

    Liu Y, Meza P E, Li Z, Hu X, dos Reis R, Wolverton C, Dravid V. Chemistry of Materials.

  11. 2025

    End‑to‑End Automated Segmentation Framework for Four‑Dimensional Scanning Transmission Electron Microscopy Data.

    Liu W, Zhang S, Wahl C B, Wu J, dos Reis R, Mirkin C A, Dravid V P, Apley D. Microscopy and Microanalysis 31(5), ozaf094.

  12. 2025

    Hamiltonian‑Preserving Symplectic Neural Networks for Robust Phase Retrieval in 4D STEM Ptychography.

    dos Reis R, dos Santos G T, Dravid V P. Microscopy and Microanalysis 31(S1), ozaf048.094.

  13. 2025

    Dynamic structural and morphological transformations in high‑entropy metal–organic frameworks.

    Bhawnani R R, Barsoum M L, Dhakal A, Gande V V, Nemade R Y, et al. Materials Today Chemistry 49, 103009.


Teaching

Courses at Northwestern MSE.

Hands‑on, notebook‑driven curricula on electron microscopy and the data lifecycle. Slides, datasets and code released openly with each offering.

MSE 460

Electron Microscopy

Undergrad / Grad · Winter

A comprehensive introduction to electron microscopy with emphasis on transmission electron microscopy (TEM) and its applications in materials science. Theory plus hands‑on operation, diffraction, imaging, EDS and EELS.

MSE 465

Advanced Electron Microscopy & Diffraction

Graduate · Winter

An advanced graduate course on (S)TEM through a computational, data‑centric framework. Imaging and dynamical diffraction theory paired with Python‑based simulations, AI‑driven image analysis and reproducible workflows on multi‑dimensional datasets.


Media

Talks & press.

Selected appearances and lectures. Reach out for booking or to share a recording.


Connect

Find us across the web.

Code, papers, slides, and conversations — wherever you prefer to read.


Location

Northwestern University, Evanston.

Where Lake Michigan meets Materials Science. The MSE department lives in Cook Hall; the NUANCE Center is in the Technological Institute next door.

Northwestern University Evanston campus from the air, looking south along Lake Michigan
Northwestern University — Evanston, IL
MSE Department

Department of Materials Science & Engineering
Cook Hall
2220 Campus Dr, Evanston, IL 60208

mccormick.northwestern.edu/materials-science →
NUANCE Center

Northwestern University Atomic and Nanoscale Characterization Experimental Center
Technological Institute
2145 Sheridan Rd, Evanston, IL 60208

nuance.northwestern.edu →
Vinayak Dravid Group

The VPD Group · Materials Science & Engineering
Cook Hall, Northwestern University

vpdravid.northwestern.edu →