Yu Xie

Presentation History

2024 MRS Spring Meeting

Tracing Molecular Reactions and Decomposition Using Machine Learning Force Fields and Active Learning

Apr 26, 2024, 10:45 AM

2024 MRS Spring Meeting

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

Apr 26, 2024, 10:15 AM

2024 MRS Spring Meeting

Understanding The Interplay between Anion Dynamics and Proton Conduction in Solid-Acid Compounds Using Machine Learning Molecular Dynamics

Apr 25, 2024, 5:00 PM

2024 MRS Spring Meeting

Reaction and Ionic Migration at The Electrode-Electrolyte Interface in Solid State Batteries from Machine Learning Molecular Dynamics

Apr 25, 2024, 2:15 PM

2023 MRS Fall Meeting

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

Dec 1, 2023, 8:30 AM

2023 MRS Fall Meeting

Rotation Assisted Proton Conduction Mechanism in Solid Acid Compounds using Machine Learning Molecular Dynamics

Nov 30, 2023, 9:15 AM

2023 MRS Fall Meeting

Reaction and Ionic Migration at the Electrode-Electrolyte Interface in Solid State Batteries from Machine Learning Molecular Dynamics

Nov 29, 2023, 2:15 PM

2023 MRS Fall Meeting

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

Nov 28, 2023, 3:45 PM

2023 MRS Fall Meeting

Machine Learning Design of More Accurate, Efficient, Stable and Transferable Coarse Grained Free Energy Models

Nov 27, 2023, 4:15 PM

2023 MRS Fall Meeting

Towards Atomistic Phase Diagrams for Surface Reconstructions and Nanoparticle Responses to Adsorbates using Machine-Learned Dynamics

Nov 27, 2023, 2:15 PM

2023 MRS Spring Meeting

Proton Dynamics Simulations of Solid-Acid Electrolytes Using Active Learning and Equivariant Neural Network Force Fields

Apr 13, 2023, 4:45 PM

2023 MRS Spring Meeting

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

Melting and Phase Separation of SiC from Large-scale Machine Learning Molecular Dynamics

Apr 13, 2023, 10:30 AM

2023 MRS Spring Meeting

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

Apr 13, 2023, 8:30 AM

2023 MRS Spring Meeting

Dynamic Responses of Nanoparticle Heterogeneous Catalysts using Machine-Learned Force Fields

Apr 12, 2023, 11:45 AM

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

Epitaxial Growth of Silicon Carbide from Molecular Dynamics and Active Learning of Machine Learning Force Field

Nov 30, 2022, 8:00 PM

2022 MRS Fall Meeting

Development of Machine Learned Force Fields for Transition Metals and an Application to Surface Reconstruction

Nov 30, 2022, 4:15 PM

2022 MRS Fall Meeting

Understanding Proton Dynamics near the Superprotonic Phase Transition of Solid-Acid Electrolytes Using Machine Learning Force Fields

Nov 30, 2022, 11:15 AM

2022 MRS Fall Meeting

Acceleration of Simulations of Complex Compounds by Dimensionality Reduction of Atomic Cluster Expansion Features

Nov 29, 2022, 3:15 PM