Projects: INCITE

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Domain Earth Science
Hours 1,000,000 Aurora Node-Hours

Energy Exascale Earth System Model

PI Aaron Donahue, Lawrence Livermore National Laboratory
Regionally refined E3SM model run at sub-kilometer resolution

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Domain Biological Sciences

Building SOTA Foundation Models for Precision and Preventive Medicine

Building SOTA Foundation Models for Precision and Preventive Medicine

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Domain Biological Sciences
Hours 500,000 Aurora node-hours

COMbining Deep-Learning with Physics-Based AffinIty EstimatiOn 4 (COMPBIO4)”

PI Peter Coveney, Peter Coveney, University College London
The IMPECCABLE workflow integrates machine learning (ML) and physics-based (PB) methods to accelerate drug discovery. By incorporating multiple ML and PB approaches, it leverages their strengths while mitigating individual limitations. The workflow is being scaled on exascale machines to efficiently identify potential drug candidates for various target proteins.

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Domain Biological Sciences
Hours 50,000 Polaris Node-Hours | 800,000 Aurora Node-Hours

FRAME-IDP: Framework for Reasoning Analytics & Modeling of Emergent biologics targeting Intrinsically Disordered Proteins

PI Arvind Ramanathan, Argonne National Laboratory
FRAME-IDP

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Domain Engineering
Hours 200,000 Aurora Node-Hours

Advancing Fusion and Fission Energy through Exascale

PI Elia Merzari, Pennsylvania State University
Merzari Image

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Domain Materials Science
Hours 150,000 Polaris Node-Hours | 430,000 Aurora Node-Hours

Digital Twins of Heterogeneous Reaction Dynamics in Catalysts and Batteries

PI Boris Kozinsky, Harvard University
Kozinsky Image

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Domain Materials Science
Hours 100,000 Polaris Node-Hours

Advancing Fusion Reactor Materials Through Exascale Simulations

PI Tim Frolov, Lawrence Livermore National Laboratory
Frolov

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Domain Computer Science
Hours 75,000 Polaris Node-Hours | 3M Aurora Node-Hours

AuroraGPT: A Large-Scale Foundation Model for Advancing Science

PI Rick Stevens, Argonne National Laboratory
Stevens Image

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Domain Physics
Hours 200,000 Polaris Node-Hours

High-Energy Electrons Driven by High-Power Lasers for Strong-Field Physics

PI Victor Malka, Weizmann Institute of Science
Malka INCITE Graphic

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Domain Physics
Hours 200,000 Polaris Node-Hours

Exascale Simulations of Laser Plasma Interactions Driven by Structured Light

PI Frank Tsung, University of California, Los Angeles
Tsung Image

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Domain Physics
Hours 250,000 Polaris Node-Hours | 1M Aurora Node-Hours

AI-facilitated Global Profile Prediction in Tokamak Plasma

PI Robert Hager, Princeton Plasma Physics Laboratory
Hager Incite Graphic

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Domain Biological Sciences
Hours 550,000 Aurora Node-Hours | 90,000 Polaris Node-Hours

Natural Language Prompt Guided Design of Functional de Novo Proteins

PI Rama Ranganathan, University of Chicago
Overview of the BioM3 Framework

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Domain Biological Sciences
Hours 400,000 Aurora Node-Hours

Predicting Evolutionary Pathways with Foundational Genome-Scale Language Models

PI Azton Wells, Argonne National Laboratory
GenSLM-2 model workflow

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Domain Biological Sciences
Hours 250,000 Aurora Node-Hours

Establishing Digital Twins for High-Throughput Cellular Analysis in Whole Blood

PI Amanda Randles, Duke University
high-throughput mechano-phenotyping technology

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Domain Physics
Hours 510,000 Aurora Node-Hours

AbacusAurora: N-Body Simulations for a New Generation of Cosmic Surveys

PI Daniel Eisenstein, Harvard University
slice through an Abacus cosmological N-body simulation

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Domain Physics
Hours 950,000 Aurora Node-Hours

General Relativistic Radiation Magnetohydrodynamics of Tidal Disruptions

PI Shane Davis, University of Virginia
volume rendering of the mass density in the aftermath of a stellar disruption

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Domain Engineering
Hours 400,000 Aurora Node-Hours

High-Fidelity Simulations of Open Fan/Wing Integration for Sustainable Aviation

PI Stephan Priebe, GE Aerospace Research
Detailed view of the turbulent flow at the wing-body juncture

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Domain Engineering
Hours 64,000 Polaris Node-Hours

Scalar Transport in Turbulent Bubbly Flows: Insights from Interface-Resolved Simulations

PI Parisa Mirbod, University of Illinois Chicago
Graphic from Mirbod proposal.

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Domain Physics
Hours 1M Aurora Node-Hours

Exascale Simulations of Compact Binary Mergers

PI David Radice, The Pennsylvania State University
electric current density in the orbital plane of a binary neutron star merger

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Domain Engineering
Hours 150,000 Polaris Node-Hours | 315,000 Aurora Node-Hours

DNS of Shock-Induced Instabilities Over Hypersonic Control Surfaces

PI Takahiko Toki, Purdue University
Scalo Incite Graphic