DATA: Materials Discovery

Presentations

• Application of a graph-to-graph translation model to predict new melt-castable molecule

  ORAL

  June 23, 2025, 9:15 AM – June 23, 2025, 9:30 AM

  Publication: Optimization of a graph-to-graph translation generative model under multiple constraints: discovering new melt-cast explosives (in preparation)

  Presenters

  • Joshua Lansford

    DEVCOM ARL

  Authors

  • Joshua Lansford

    DEVCOM ARL

  • Brian C Barnes

    US Army Research Lab Aberdeen

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• Discovery of Novel Energetic Materials via High-Throughput Computations and Machine Learning

  ORAL

  June 23, 2025, 9:30 AM – June 23, 2025, 9:45 AM

  Presenters

  • R. Seaton S Ullberg

    Theoretical Division, Los Alamos National Laboratory

  Authors

  • R. Seaton S Ullberg

    Theoretical Division, Los Alamos National Laboratory

  • Megan C Davis

    Theoretical Division, Los Alamos National Laboratory

  • Andrew H Salij

    Theoretical Division, Los Alamos National Laboratory

  • Jeremy N Schroeder

    Theoretical Division, Los Alamos National Laboratory

  • Wilton J Kort-Kamp

    Theoretical Division, Los Alamos National Laboratory

  • Marc J Cawkwell

    Theoretical Division, Los Alamos National Laboratory

  • Christopher J Snyder

    High Explosives and Technology, Q-5, Los Alamos National Laboratory, Los Alamos National Laboratory (LANL)

  • Ivana Gonzales

    Theoretical Division, Los Alamos National Laboratory

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• Abstract Withdrawn

  ORAL Withdrawn

  June 23, 2025, 9:45 AM – June 23, 2025, 10:00 AM

  View abstract →

• Energetic Polymer Property Prediction with Machine Learning

  ORAL

  June 23, 2025, 10:00 AM – June 23, 2025, 10:15 AM

  Presenters

  • Jesse Carter Hearn

    University of Maryland College Park

  Authors

  • Jesse Carter Hearn

    University of Maryland College Park

  • Sangeeth Balakrishnan

    University of Maryland College Park

  • Brian C Barnes

    US Army Research Lab Aberdeen

  • Ruth M Doherty

    Energetics Technology Center, Indian Head, MD

  • Ryan Ciufo

    Energetics Technology Center, Indian Head

  • Peter W Chung

    University of Maryland College Park

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• Machine Learning of Non-Reactive Shock Compression Response for Metallized Material Mixtures

  ORAL

  June 23, 2025, 10:15 AM – June 23, 2025, 10:30 AM

  Presenters

  • Sangeeth Balakrishnan

    University of Maryland College Park

  Authors

  • Sangeeth Balakrishnan

    University of Maryland College Park

  • Jesse Carter Hearn

    University of Maryland College Park

  • Francis G VanGessel

    U.S. Naval Surface Warfare Center, Indian Head Division, Indian Head, MD, University of Maryland, College Park

  • William Wilson

    Energetics Technology Center, Indian Head, MD 20640

  • Ruth M Doherty

    Energetics Technology Center, Indian Head, MD

  • Peter W Chung

    University of Maryland College Park

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• Semantically Structured Knowledge Graphs for the Inverse Design of Molecules

  ORAL

  June 23, 2025, 10:30 AM – June 23, 2025, 10:45 AM

  Presenters

  • Connor P Oryan

    University of Maryland, College Park

  Authors

  • Connor P Oryan

    University of Maryland, College Park

  • Peter W Chung

    University of Maryland College Park

  • Francis G VanGessel

    U.S. Naval Surface Warfare Center, Indian Head Division, Indian Head, MD, University of Maryland, College Park

  • Ruth Doherty

    Energetics Technology Center

  • William Wilson

    Energetics Technology Center, Indian Head, MD 20640

  • John Fischer

    Energetics Technology Center, Indian Head, MD

  • Zois Boukouvalas

    American University

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