Anuj Kumar

Anuj Kumar

Simulation Intelligence Scientist

Pasteur Labs

Biography

I’m working at Pasteur Labs as a Simulation Intelligence Scientist, where I research, design and implement production-ready ML surrogate models for physical simulations, with a focus on graph and point-cloud learning, scalable data pipelines, and geometry-aware generalization across complex CAD/CAE systems.

I received my PhD in Mechanical Engineering from the Mechanical and Aerospace Engineering Department at NC State University in July 2024, specializing in machine-learning surrogate modeling and Computational Fluid Dynamics (CFD).

At Argonne National Laboratory, I worked on the development of a highly accurate, robust, and physically compliant Neural ODE model to learn stiff chemical kinetics.

Previously, I worked on acceleration of turbulent combustion simulations through reduced-order models in collaboration with Sandia National Laboratories. Additionally, I worked on dynamical-system analysis of turbulent boundary layers through resolvent analysis.

In addition to research, I enjoy playing badminton, cooking, and going on road trips.

Download my CV.

Interests
  • Scientific Machine Learning
  • Surrogate Modeling
  • Reduced Order Modeling
  • Computational Fluid Dynamics
  • High Performance Computing
  • Turbulence
  • Chemical Kinetics
Education
  • PhD in Mechanical Engineering (Minor in Applied Mathematics), 2019-2024

    North Carolina State University

  • MS in Mechanical Engineering, (en-route to PhD)

    North Carolina State University

  • Bachelor of Technology in Mechanical Engineering, 2016

    Indian Institute of Technology Kanpur

Skills

Machine Learning
Python
CFD
High Performance Computing
Mathematical Modeling
JAX
Modal Analysis
Photography
Badminton

Research Experience

 
 
 
 
 
Simulation Intelligence Scientist
Jul 2024 – Present New York

As a Simulation Intelligence Scientist, I

  • Research, Design and implement production-ready graph and point-cloud surrogate neural operator models in JAX and PyTorch, along with robust data pipelines and preprocessing workflows to support reliable training, evaluation, and deployment.
  • Investigate effective geometry representation in point clouds and global-interaction mechanisms in graph neural networks, including approaches to incorporate physical symmetries for steady-state surrogate modeling and improved generalization across diverse CAD geometries.
  • Develop subsampling and subgraph/partitioning strategies to scale learning and inference to large CAE datasets, reducing memory bottlenecks and enabling efficient processing of high-resolution simulations.
  • Collaborate with cross-functional engineering teams and external research partners to validate methods, translate research into practical capabilities, and align Simulation Intelligence efforts with real-world constraints and product needs.
 
 
 
 
 
North Carolina State University
Graduate Research Assistant
North Carolina State University
Oct 2022 – Jul 2024 Raleigh, NC

React-DeepONet: Developed a Deep Operator Network (DeepONet) based surrogate model for Stiff Chemical Kinetics.

  • Employed a novel training mechanism and modified DeepONet architecture to learn the integration operator corresponding to large reaction systems.
  • Added Param Net, Shift Net and learned Chemical Kinetics in latent space from Autoencoder for efficient training and robust predictions.
  • Modeled and trained the modified DeepONet in JAX framework utilizing Just In Time compilation and Auto-Vectorization.
  • Achieved stable and accurate long-time predictions with a huge Speed-Up of three orders (1000)
 
 
 
 
 
Argonne National Laboratory
Research Aide - PhD
Argonne National Laboratory
May 2023 – Dec 2023 Lemont, IL

ChemNODE: Worked on development of efficient and robust Neural ODE models to learn stiff chemical kinetics.

  • Implemented second-order optimizer (Levenberg–Marquardt) for efficient model training and robust predictions.
  • Deployed Physics-Informed training for physically compliant and robust predictions.
  • Latent Space Kinetics Identification through Neural ODE for large and complex fuels.
 
 
 
 
 
North Carolina State University
Graduate Research Assistant
North Carolina State University
Jan 2021 – Dec 2022 Raleigh, NC

Reduced- Order Modeling of Turbulent Combustion (In collaboration with Sandia National Laboratories).

  • Low- dimensional manifold is identified in form of Principal Components (PC) and these modes are evolved in time instead of thermochemical species in a direct numerical simulation.
  • Chemical source terms and transport coefficients for the PC modes are mapped through high-fidelity Neural Networks.
  • Achieved Speed-Up of two orders (80) with great accuracy on a laboratory-scale Bunsen Flame.
 
 
 
 
 
North Carolina State University
Graduate Research Assistant
North Carolina State University
Aug 2019 – Dec 2020 Raleigh, NC

Input-Output analysis of Turbulent boundaries through Resolvent Analysis.

  • Performed Resolvent analysis on the time-averaged turbulent mean flows.
  • Identified the most responsive inputs and most receptive outputs of the dynamical system.
  • Application to Shock- wave turbulent Boundary Layer Interaction (SBLI): Captured low-frequency unsteadiness and identified the most-energetic turbulent eddies after flow separation.
  • Application to Compressible Turbulent Boundary layer: Obtained the dominant coherent structures in the boundary layer and confirmed their adherence to the attached eddy hypothesis.
 
 
 
 
 
General Electric
Research Intern
General Electric
May 2015 – Jul 2015 Bengalure, India

Analysis of Thermal Buckling in a Jet Engine Compressor Disk.

  • Investigated critical temperature for various modes using pre-existing literature on buckling of a solid disk.
  • Modeled a solid disk and obtained the solution using eigenbuckling analysis on Ansys, matched with theoretical results.
  • Predicted factor of safety for the Jet engine compressor disk using solutions procedure as used for the solid disk.
 
 
 
 
 
Indian Institute of Technology Kanpur
Summer Research Intern
Indian Institute of Technology Kanpur
May 2014 – Jul 2014 Kanpur, India

Computational analysis of suppression of the vortex shedding around a square cylinder.

  • Numerically investigated flow around a square cylinder; discretizing Navier-Stokes equation by Marker and Cell Method.
  • Identified suppression region and obtained the drag coefficient for various sizes of control cylinders and Reynolds numbers.

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