August 4, 2025
5 min read
Lawrence Livermore National Laboratory
LLNL researchers deploy AI agents on top supercomputers to automate and accelerate inertial confinement fusion target design and simulations.
Lawrence Livermore National Laboratory (LLNL) researchers have reached a significant milestone by integrating artificial intelligence (AI) with fusion target design. They deployed AI agents on two of the worldâs most powerful supercomputers to automate and accelerate inertial confinement fusion (ICF) experiments.
Part of an AI framework called the Multi-Agent Design Assistant (MADA), LLNL scientists and collaborators combine Large Language Models (LLMs) with advanced simulation tools. This system interprets natural language prompts from human designers and generates complete physics simulation decks for LLNLâs next-generation 3D multiphysics code, MARBL. MARBL excels at designing and analyzing high-energy-density experiments, including ICF.
In ICF experiments at LLNLâs National Ignition Facility (NIF), fusion energy is produced when 192 laser beams converge on a tiny target of deuterium and tritium, triggering a fusion chain reaction. The MADA team uses the exascale El Capitan supercomputerâthe worldâs fastest at 2.79 exaFLOPs peakâand its smaller sibling Tuolumne to test the AI system. The framework includes an Inverse Design Agent (IDA) that engineers new ICF targets.
Jon Belof, LLNL physicist and principal investigator, notes the project began in 2019, initially exploring the combination of AI with shockwave physics. As LLMs advanced, semi-autonomous AI systems collaborating with humans for ICF design became a natural progression.
The MADA team, including collaborators from Los Alamos (LANL) and Sandia National Laboratories (SNL), has transformed this concept into a sophisticated AI-driven design workflow. Recently, an open-source LLM fine-tuned on MARBL documentation successfully converted a hand-drawn capsule diagram and natural language request into a full simulation deck, running thousands of simulations to explore new ICF capsule geometries.
This AI-driven design approach comes at a critical time for fusion research. Following LLNLâs historic ignition achievement at NIF in December 2022, the lab aims to develop a robust ignition platform with potential national security applications.
Belof explains that MADA drastically compresses design cycles and explores vast design spaces, enabling the pursuit of hundreds or thousands of ICF design concepts simultaneously. This shift from human-run simulation ensembles to AI-driven idea ensembles could be transformative.
At the core of MADA are AI âagentsââautonomous software entities with two main components: an LLM that understands human language and a specialized tooling interface that performs domain-specific tasks. For MADA, this tooling generates structured simulation input files and launches them on high-performance computing (HPC) systems.
âWe are putting AI in the driverâs seat of a supercomputer, which has never been done before,â said Belof.
Supporting the IDA is the Job Management Agent (JMA), which manages large-scale simulation workflows across LLNLâs supercomputers. It interacts with the Flux scheduler and workflow tools like Merlin to queue jobs, allocate resources, and efficiently collect simulation outputs.
JMA Team Lead Giselle Fernandez highlights that this coordination between AI and HPC offers a critical advantage in advancing toward a robust fusion ignition platform.
This iterative workflow enables unprecedented interactivity between designers and simulations. Instead of manually coding and launching jobsâa process that could take days or weeksâresearchers can explore thousands of design variations in parallel by conversing with an AI agent.
Belof elaborates, âThe agent can take a capsule diagram and a plain-language prompt like, âExplore the effect of changing a certain part of the geometry,â translate that into a valid MARBL simulation deck, run it, collect results, and build training datasets for surrogate models.â
MADA leverages HPC to run massive ensemblesâtens of thousands of ICF simulations in a single studyâon Tuolumne, the worldâs 12th fastest supercomputer. The simulation outputs train a machine learning model called PROFESSOR, which provides instant feedback for designers exploring new capsule geometries.
âOnce trained, PROFESSOR generates implosion time histories that update instantaneously when designers change input geometry,â said Belof. âItâs a powerful new tool enabled by AI, machine learning, and HPC.â
By integrating natural language interaction, image interpretation, and rapid simulation-to-model pipelines, MADA demonstrates how AI can be embedded directly into high-stakes scientific workflows. This collaborative AI augmentation replaces slow, manual iteration with accelerated design cycles.
The implications extend beyond ICF. As more exascale systems like El Capitan come online, MADA offers a blueprint for AI agents acting as digital collaborators in fields ranging from materials discovery to weapons certification.
Belof concludes, âItâs about enhancing human productivity through AI in transformative ways. This project shows weâre just beginning to tap AIâs potential to optimize resources and understand tradeoffs for next-generation fusion facilities.â
The work is funded by NNSAâs Advanced Simulation & Computing program. LLNL MADA team members include deputy principal investigator Charles Jekel, MARBL Project Lead Rob Rieben, and researchers Will Schill, Meir Shachar, and Dane Sterbentz. Nathan Brown of SNL and Ismael Djibrilla Boureima of LANL also contributed.
Source: Originally published at Newswise on August 4, 2025.
Source: Originally published at Newswise on August 4, 2025.