Presentations

2023

Learning Interatomic Forces from Experimental Measurements of Fluid Structure
The prediction of interatomic forces from experimental X-ray and neutron scattering data is a historic inverse problem in statistical …
Nov 7, 2023 10:12 AM — 10:30 AM Orlando, FL
Brennon L. Shanks
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Force Field Development for Molecular Simulations with Structure Optimized Potential Refinement
One of the fundamental applications of molecular simulations is to predict the atomic structure and self-assembly of fluid-state …
Nov 5, 2023 2:30 PM — 2:45 PM Orlando, FL
Brennon L. Shanks
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Probabilistic Machine Learning for Statistical Mechanical Inverse Problems
Oct 25, 2023 8:00 AM — 9:00 AM University of Bonn, DE
Brennon L. Shanks
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Machine learning accelerated methods to predict interatomic forces from experimental structure measurements
The prediction of interatomic forces from experimental scattering data is a historic inverse problem in statistical mechanics from both …
Aug 17, 2023 8:55 AM — 9:10 AM San Francisco, CA
Brennon L. Shanks
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Constructing transferable force fields from neutron scattering measurements with structure optimized potential refinement
A fundamental application of molecular simulations is to predict the atomic structure and self-assembly of materials. However, recent …
Aug 15, 2023 7:00 PM — 9:00 PM San Francisco, CA
Brennon L. Shanks
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Advancing Interatomic Force Prediction with Machine Learning: Accelerated Methods for Extracting Force Fields from Experimental Scattering Measurements
The prediction of interatomic forces based on experimental scattering data represents a significant and longstanding inverse problem in …
Jul 31, 2023 4:00 PM — 6:00 PM Holderness, NH
Brennon L. Shanks
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