Pouria Mistani, PhD · AI for Science & Engineering

Computational physicist. I lead teams building AI for physics-based engineering design.

I trained in cosmology and in numerical methods for partial differential equations. For more than a decade I have built large-scale simulations and the machine-learning methods coupled to them, at UC Santa Barbara, Merck, NVIDIA and Synopsys. I currently lead Voltaire, Voltai's agentic multiphysics platform for 3D-IC design.

Allen–Cahn phase separation, 640 × 328 grid explicit finite differences, pre-rendered frame

Oct 2026

NVIDIA described Voltaire in its SEMICON West announcement. Voltaire is the agentic multiphysics platform for 3D-IC design that I conceived and lead at Voltai.

Trajectory · 2013 → now

High-fidelity, large-scale simulation of physical systems, 2013 to the present. Each lane is one research area, and milestones are placed on a common time axis.

  • Astrophysics & cosmology
  • Numerical methods & HPC
  • AI for simulation
  • Biophysics & life sciences
  • Chip design & semiconductors
Career trajectory of Pouria Mistani. Milestones are plotted across five research areas from 2013 to the present. 20132016201720182020202120222023202420252026 Illustris · dwarf galaxies MNRAS · dwarf galaxies & globular clusters PhD · UCSB · level-set PDE methods Epitaxy · island dynamics on quadtree grids Physics-aware neural networks AVICENNA · tissue-scale simulation BiPDE · physics-aware neural networks JAX-DIPS · differentiable PDE solver Postdoc · biotherapeutics HPC NVIDIA · Clara, Modulus, Warp Prescient Design · protein design Multi-objective DPO for protein design Synopsys · founding engineer, GenAI Solutions Voltaire · agentic multiphysics for 3D-IC Voltaire announced with NVIDIA Free-boundary model of protein aggregation Stencil · open journal and agent plugin

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Teams and platforms

Four teams joined at the founding stage.

In each of these positions I was the first technical hire, a founding engineer or the platform lead. I built the first working system and helped grow the team.

  1. 01 2021

    NVIDIA Clara Discovery Simulation

    First technical hire. I helped establish AI-driven simulation for drug discovery and grow the team to 14 engineers and researchers. The work included DiffDock in BioNeMo and GPU molecular dynamics with machine-learned interaction potentials.

  2. 02 2024

    Aikium Computational platform

    Founding scientist. I developed multi-objective DPO for protein language models and filed three provisional patents within four months. The algorithm later became the basis of Aikium's production drug-design platform.

  3. 03 2024

    Synopsys GenAI Solutions

    Founding engineer. I built a GenAI SDK and a multi-agent EDA framework that were adopted by several business units. I am the lead inventor on the patent application for the framework.

  4. 04 2025

    Voltai Voltaire · Platform Lead

    I conceived Voltaire, built the initial platform and defined its architecture. I also assembled the team, which has expertise in AI, computational science and semiconductor engineering.

Current focus

Semiconductor design based on first-principles simulation, with AI agents coordinating the design workflow.

The physics of an integrated circuit is well posed and well characterized. It is described by Maxwell's equations, heat and charge transport, and elasticity. Manufacturing processes such as epitaxy, etching and lithography are modeled by the level-set evolution of free boundaries. The problems are large enough to require accelerated numerical methods, and design decisions depend on accurate results. The engineering workflow around these simulations is complex. AI agents can automate this workflow, verify results and explore design alternatives in parallel. My aim is to build simulations for industrial design with the scale and fidelity that the Illustris simulations achieved in cosmology.

Selected work

Selected projects, 2018 – 2026.

Talks

Selected talks.

Get in touch

For collaboration on AI for science, engineering design or large-scale simulation, please write.