Jonathan Vandermause

Presentation History

2024 MRS Spring Meeting & Exhibit

Unraveling The Catalytic Effect of Hydrogen Adsorption on Pt Nanoparticle Shape-Change

Apr 26, 2024, 10:15 AM

2023 MRS Fall Meeting & Exhibit

Extracting Catalytic Reaction Mechanisms from Large-Scale Simulations Accelerated by Machine Learning Interatomic Potentials

Dec 1, 2023, 8:30 AM

2023 MRS Fall Meeting & Exhibit

Unraveling the Catalytic Effect of Hydrogen Adsorption on Pt Nanoparticle Shape-Change

Nov 28, 2023, 3:45 PM

2023 MRS Spring Meeting & Exhibit

Multitask Learning of Collective Variables and Reactive Force Fields for Enhanced Sampling of Rare Catalytic Events

Apr 13, 2023, 2:15 PM

2023 MRS Spring Meeting & Exhibit

Billions of Atoms with Machine Learning Interatomic Potentials: Application to Direct Heterogeneous Reactive Dynamics

Apr 13, 2023, 8:30 AM

2023 MRS Spring Meeting & Exhibit

Uncertainty Aware Active Learning of Coarse Grained Free Energy Models

Apr 12, 2023, 4:00 PM

2022 MRS Fall Meeting

Billions of Atoms with Machine Learning Interatomic Potentials—Performance Portability of FLARE

Dec 1, 2022, 8:45 AM

2022 MRS Fall Meeting

Transferable Coarse Grained Potentials Enabled by Gaussian Process Regression and Active Learning

Nov 29, 2022, 2:30 PM

2022 MRS Spring Meeting

Many-Body Interatomic Potential with Bayesian Active Learning, an Application to SiC

May 9, 2022, 3:45 PM

2021 MRS Fall Meeting

Active Learning of Reactive Bayesian Force Fields—Application to Heterogeneous Catalysis Dynamics of H/Pt

Dec 6, 2021, 1:00 PM

2021 MRS Fall Meeting

Active Learning of Many-Body Bayesian Potentials for Large-Scale Simulations of Phase Transformations and Thermal Transport

Dec 2, 2021, 10:30 AM

2021 MRS Fall Meeting

Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Reaction Events

Nov 30, 2021, 5:15 PM

2021 MRS Fall Meeting

Active Learning of Many Body Coarse Grained Potentials with Gaussian Process Regression

Nov 30, 2021, 2:15 PM

2021 MRS Fall Meeting

Benchmarking Descriptors, Models and Systems for Many-Body Machine Learned Force Fields in Molten Transition Metals

Nov 30, 2021, 11:15 AM

2021 MRS Spring Meeting

Automated Training of Many-Body Machine Learned Force Fields

Apr 20, 2021, 12:55 PM

2021 MRS Spring Meeting

Fast Simulations of Thermal Transport in Complex Materials using Machine Learning and Bayesian Force Fields

Apr 19, 2021, 10:55 AM

2021 MRS Spring Meeting

Fast Bayesian Force Fields from Active Learning—Study of Inter-Dimensional Transformation of Stanene

Apr 18, 2021, 11:00 AM

2019 MRS Fall Meeting

Automated Coarse Graining Procedure for Molecular Dynamics, Preserving Rare Events

Dec 5, 2019, 4:30 PM

2019 MRS Fall Meeting

Learning Collective Variables for Enhanced Sampling with a Multi-Task Neural Network

Dec 3, 2019, 4:45 PM

2019 MRS Fall Meeting

Bayesian Active Learning of Gaussian Process Weight Force Fields—Application to Stability of 2D Materials

Dec 3, 2019, 4:30 PM