Publications

Molecular Dynamics of High Pressure Tin Phases I: Strength and Deformation Evaluation of Empirical Potentials

Shock Compression of Condensed Matter Conference

James Matthew Doyle Lane, Mary Alice Cusentino, Ben Nebgen, Kipton Barros, John Shimanek, Alice Allen, Aidan P. Thompson, Saryu Fensin

Molecular Dynamics of High Pressure Tin Phases II: Machine Learned Interatomic Potential Development

22nd Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter

Mary Alice Cusentino, Ben Nebgen, Kipton Barros, John Shimanek, Alice Allen, Aidan P. Thompson, Saryu Fensin, James Matthew Doyle Lane

Molecular Dynamics Simulations of Hydrogen and Nitrogen Implantation in Tungsten

TMS Annual Meeting

Mary Alice Cusentino, Mitchell Wood, Aidan P. Thompson

Interatomic Potentials for Materials Science and Beyond; Advances in Machine Learned Spectral Neighborhood Analysis Potentials

TMS Annual Meeting (Virtual)

Mitchell Wood, Mary Alice Cusentino, Ivan Oleynik, Aidan P. Thompson

Scalable Solutions for Training Machine Learned Interatomic Potentials

American Physical Society

Mitchell Wood, Charles Andrew Sievers, Danny Perez, Nicholas Lubbers, Aidan P. Thompson

Training Atomic Cluster Expansion Potentials using LAMMPS and FitSNAP

APS March Meeting 2022

James Michael Goff, Mitchell Wood, Aidan P. Thompson

Data-driven Magnetic Materials Modeling; Advances in Classical Molecular Dynamics

2022 TMS Annual Meeting & Exhibition

Svetoslav Valeriev Nikolov, Julien Tranchida, Aidan P. Thompson, Mitchell Wood

Scalable Solutions for Training Machine Learned Interatomic Potentials

American Physical Society March Meeting

Mitchell Wood, Charles Andrew Sievers, Danny Perez, Nicholas Lubbers, Aidan P. Thompson

Machine Learned Interatomic Potential Development for W-ZrC

American Physical Society March Meeting

Ember Layne Sikorski, Julien Tranchida, Mary Alice Cusentino, Mitchell Wood, Aidan P. Thompson

SNAP and beyond: Machine Learning Interatomic Potentials in LAMMPS

ACE Collaboration Seminar

Aidan P. Thompson

Development of SNAP Interatomic Potentials for Gas-Metal Interactions for Fusion Energy Materials

APS March Meeting

Mary Alice Cusentino, Mitchell Wood, Aidan P. Thompson

Training Atomic Cluster Expansion (ACE) Potentials using LAMMPS and FitSNAP

ACE Talks at Ruhr-Universitt Bochum

James Michael Goff, Aidan P. Thompson

Development of SNAP potential for ZrC strengthened W

25th International Conference on Plasma Surface Interaction

Ember Layne Sikorski, Julien Tranchida, Mary Alice Cusentino, Mitchell Wood, Aidan P. Thompson

How nitrogen affects hydrogen adsorption on tungsten surfaces

25th International Conference on Plasma Surface Interactions in Controlled Fusion Devices

Chun-Shang Wong, Robert Kolasinski, Josh A. Whaley, Mary Alice Cusentino, Mitchell Wood, Brian Wirth, Aidan P. Thompson

Development of SNAP Potentials for Molecular Dynamics Modeling of Hydrogen and Nitrogen Interactions in Tungsten

25th International Conference on Plasma Surface Interactions in Controlled Fusion Devices

Mary Alice Cusentino, Mitchell Wood, Aidan P. Thompson

Exploring refractory complex concentrated alloy behavior in the fusion reactor environment with a machine-learned interatomic potential

PSI-25 25th International Conference on Plasma Surface

Megan Jeanne McCarthy, Jacob Kyle Startt, Remi Philippe Michel Dingreville, Mitchell Wood, Aidan P. Thompson

Development of SNASP Machine Learned Interatomic Potentials for Materials in Extreme Environments

2021 MRS Fall Meeting

Mary Alice Cusentino, Mitchell Wood, Aidan P. Thompson

Development of SNAP Interatomic Potentials for Gas-Metal Interactions for Fusion Energy Materials

American Physical Society March Meeting

Mary Alice Cusentino, Mitchell Wood, Aidan P. Thompson

Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon

npj Computational Materials

Yury Lysogorskiy, Cas van der Oord, Anton Bochkarev, Sarath Menon, Matteo Rinaldi, Thomas Hammerschmidt, Matous Mrovec, Aidan P. Thompson, Gbor Csnyi, Christoph Ortner, Ralf Drautz

https://www.osti.gov/search/identifier:1830519

FusMatML End-of-Year Review Summary

FES AI/ML Program Review

Aidan P. Thompson

Machine Learning Interatomic Potentials: Training Data Selection for Accuracy and Transferability

APS March Meeting

David Montes de Oca Zapiain, Mitchell Wood, Danny Perez, Nicholas Lubbers, Carlos Pereyra, Aidan P. Thompson

Machine Learned Interatomic Potential Development for W-ZrC

APS March Meeting

Ember Layne Sikorski, Julien Tranchida, Mary Alice Cusentino, Mitchell Wood, Aidan P. Thompson

Atomic Cluster Expansion Descriptors for Structural Dataset Analysis and Classification

APS March Meeting 2022

James Michael Goff, Mitchell Wood, Aidan P. Thompson

Scalable Solutions for Training Machine Learned Interatomic Potentials

American Physical Society March 2022 Meeting

Mitchell Wood, Charles Andrew Sievers, Danny Perez, Nicholas Lubbers, Aidan P. Thompson

Development of SNAP Interatomic Potentials for Studying Mixed Materials Effects at the Tungsten Divertor

20th International Conference on Fusion Reactor Materials

Mary Alice Cusentino, Nathaniel S. Bobbitt, Mitchell Wood, Aidan P. Thompson