Debangshu Mukherjee

Materials science & scientific computing

Resume

I build physical models and computational tools for understanding materials measurements. My experimental experience spans electron microscopy, optical microscopy, and RHEED measurements. I combine that hands-on work with inverse problems, GPU computing, and interfaces that let AI agents run simulation and reconstruction workflows.

debangshu-mukherjee.com
contact@debangshu-mukherjee.com
Google Scholar — full publication list

View resume (PDF, 1 page)View detailed CV (PDF)

Updated September 2026

LinkedIn

Agent access to RHEED and ARPES simulation

I built end-to-end RHEED and ARPES simulators and integrated chatbots through their automatons workflows. These expose ahead-of-time (AOT) compiled JAX computations through discoverable interfaces, so agents can select and run scientific tasks without navigating the full implementation. I use these interfaces for real-time simulation and reconstruction of RHEED and ARPES patterns from a computer or phone while running experiments.

Explore the workflows and documentation ↗

Selected research contributions

Experiments connected to computing

Coauthor

My collaborators and I investigated networked computation and steering for electron microscopy, connecting instrument control and data transfer with remote analysis. This work addresses the infrastructure needed for automated experiments.

Ptychographic reconstruction at scale

Coauthor; published team result

In our SC22 study, we reconstructed a PbTiO3 dataset with 16,632 probe positions in 2.2 minutes on 4,158 GPUs using image gradient decomposition. The method distributes reconstruction while reducing memory requirements.

Quantitative materials characterization

First author

In our ACS Catalysis study, we used 4D-STEM to measure lattice strain in rhodium–platinum core–shell nanocubes with sub-picometer precision. The analysis resolves structural changes across the core–shell interface.

Experience

June 2021 – September 2026

Staff Scientist (R&D Associate)

Oak Ridge National Laboratory · Computational Sciences & Engineering Division

I connected electron microscopy with high-performance computing for quantitative imaging and automated experiments. I also coauthored work on machine learning for microscope workflows, distributed ptychographic reconstruction, and infrastructure for instrument control and data transfer.

June 2018 – April 2021

Postdoctoral Research Associate

Oak Ridge National Laboratory · Center for Nanophase Materials Sciences

I developed quantitative methods for extracting structure from microscopy data, including 4D-STEM strain mapping of core–shell catalysts and robust fitting of atomic positions in images.

June 2013 – May 2018

Graduate Research / Teaching Assistant

The Pennsylvania State University · Materials Science & Engineering

I studied ferroelectric domain walls using scanning transmission electron microscopy.

August 2011 – May 2013

Graduate Research / Teaching Assistant

Boston University · Materials Science & Engineering

I studied structured semiconductor fibers for mid-infrared transmission.

Education

2011 – 2013

M.S., Materials Science & Engineering

Boston University

Thesis: Structured Semiconductor Fibers for Mid-Infrared Transmission.

Advisors: Soumendra Basu and Siddharth Ramachandran

2006 – 2011

B.Tech. (Honors), Metallurgical & Materials Engineering; M.Tech., Metallurgical Engineering

Indian Institute of Technology Kharagpur

Thesis: Synthesis and characterization of La0.66Ca0.33MnO3 nanowires.

Advisors: Sanat Kumar Roy and Shanker Ram

Skills & research

Machine learning & differentiable physics

I use JAX, PyTorch, automatic differentiation, and physical forward models to tackle inverse problems and learn from scientific imaging data. My work connects model fitting and data analysis with experimental workflows.

Scientific software & computing

I develop scientific software in Python and MATLAB, using JAX, Dask, CuPy, GPU computing, and distributed analysis. I built chatbot integrations that expose compiled simulation and reconstruction workflows to agents through discoverable task interfaces and structured results.

Microscopy, spectroscopy & materials

Hands-on electron microscopy, optical microscopy, and reflection high-energy electron diffraction (RHEED) measurements. Additional expertise includes angle-resolved photoemission spectroscopy (ARPES), 4D-STEM, ptychography, strain mapping, atomic-resolution image analysis, aberration-corrected electron microscopy (Thermo Fisher / FEI, NION, and JEOL), focused ion beam sample preparation, and chemical vapor deposition of 2D materials.

Open source software

Recent publications & contributions

My recent papers, conference contributions, and preprints are listed here. See the Research page for the complete publication list and research highlights.

View recent publications (22)

Awards & honors

Teaching

Mentoring

I have mentored graduate researchers in electron microscopy, data analysis, specimen preparation, and 2D materials growth, including Md. Inzamam Ul-Haque, Matthew Drexler, Leixin Miao, and Michael Brova.