Organization

Oak Ridge National Laboratory
Presenters / Organizers
Christiane Alvarez
Elliott Biondo
John Dandy
Meghan Drake
John Gounley
Heidi Hanson
Dan Jacobson
Selin Kaplanoglu
Peter Kruse
Matthew Lane
Het Makand
Het Yagnesh Mankad
Verónica G. Melesse Vergara
Jean Merlet
Bronson Messer
Sifat Moon
Erica Prates
Sam Reeve
Ada Sedova
Manesh Shah
Adam Spannaus
Kyle A. Sullivan
Érica Texeira Prates
Alice Townsend
Anna H.C. Vlot
Jiayi Wang
Alana Wells
Session Chairs
Elliott Biondo
John Gounley
Het Yagnesh Mankad
Adam Spannaus
Presentations
PASC Poster
A Deep Dive into Deep Learning Frameworks for Protein Structure Prediction: Developing and Evaluating Classes of Biomolecular Complexes
Minisymposium
AI-Driven Systems Biology for Addiction: Large-Scale Multi-Omics Network Modeling and AI Agents for Mechanistic Discovery
Chemistry and Materials
Climate, Weather, and Earth Sciences
Life Sciences
Physics
Computational Methods and Applied Mathematics
Paper
CAFE AU LAIT: Compute-Aware Federated Augmented Low-Rank AI Training
Engineering
Life Sciences
Computational Methods and Applied Mathematics
Paper
Data Assimilation for Robust UQ Within Agent-Based Simulation on HPC Systems
Computational Methods and Applied Mathematics
Keynote
IK01 - Fulfilling the Promise of the World’s First Exascale Supercomputer: Science on Frontier
PASC Poster
KBase Research and Genome Annotation Agent
PASC Poster
Multi-Omic Single Cell Network Perturbation for Phenotypic Prediction
Minisymposium
Numerical Analysis and Acceleration of Particle-Particle Particle-Mesh Method Using Cabana
Engineering
Computational Methods and Applied Mathematics
Minisymposium
Parameter Estimation and Spreading Model Selection in a Spatiotemporal Network Framework Using Approximate Bayesian Computation
Applied Social Sciences and Humanities
Life Sciences
Computational Methods and Applied Mathematics
Minisymposium
ProtoX: A Code Generation System for Stencil Operations
Engineering
Computational Methods and Applied Mathematics
Minisymposium
Ray Tracing Methods for GPU-Accelerated Particle Transport Simulations
Climate, Weather, and Earth Sciences
Engineering
Physics
Minisymposium
Sustainable, Trustworthy Coupled HPC+AI for Molecular Simulation and Materials Design: Energy Consumption, Correctness, and Efficient Training on Leadership Platforms
Chemistry and Materials
Climate, Weather, and Earth Sciences
Computational Methods and Applied Mathematics
PASC Poster
The MENTOR Interpretation Agent: From Network Embeddings to Mechanistic Narratives via Retrieval-Augmented LLMs
Sessions
Minisymposium
MS4D - Biopreparadness at Scale via Context-Aware Agent-Based Models
Applied Social Sciences and Humanities
Life Sciences
Computational Methods and Applied Mathematics
Minisymposium
MS6D - Motif-Based Automated Performance Engineering for HPC
Engineering
Computational Methods and Applied Mathematics
Minisymposium
MS6E - Ray Tracing for Scientific Applications
Climate, Weather, and Earth Sciences
Engineering
Physics