Lixin Sun

Presentation History

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

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

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

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

Apr 13, 2023, 8:30 AM

2023 MRS Spring Meeting

Progress in Equivariant Deep Learning Interatomic Potentials—Allegro and NequIP

Apr 12, 2023, 3:30 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

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

Learning Local Equivariant Interatomic Potentials for Large-Scale Atomistic Dynamics

Nov 28, 2022, 9:00 AM

2022 MRS Spring Meeting

NequIP—Equivariance Enables Machine Learning Interatomic Potentials at Unprecedented Sample Efficiency and Accuracy

May 10, 2022, 9:00 AM

2022 MRS Spring Meeting

CO-Induced Restructuring of Pt Nanoparticles from Machine-Learning Molecular Dynamics—Bayesian Active Learning and Neural Network Approaches

May 9, 2022, 2:00 PM

2021 MRS Fall Meeting

Complex Dynamics of the CO/Pt Interaction from Bayesian Active Learning Simulations

Dec 2, 2021, 2:30 PM

2021 MRS Fall Meeting

DICE—A Linear-Scaling N-Body Interatomic Potential from E(3)-Equivariant Convolutions

Dec 2, 2021, 2:00 PM

2021 MRS Fall Meeting

NequIP—E(3)-Equivariant Convolutions Enable Sample-Efficient, Scalable and Highly Accurate Machine Learning Interatomic Potentials

Dec 2, 2021, 1:45 PM

2021 MRS Fall Meeting

Reconstruction of Low-Index Au Surfaces Using Large-Scale Machine Learning Molecular Dynamics with Many-Body Bayesian Force Fields

Dec 2, 2021, 11:15 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

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

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

Apr 18, 2021, 11:00 AM

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

2019 MRS Fall Meeting

On-the-Fly Bayesian Active Learning of Interpretable Force Fields for Atomistic Rare Events

Dec 3, 2019, 9:30 AM