Search Results for author: Ziyue Zou

Found 2 papers, 0 papers with code

Enhanced sampling of Crystal Nucleation with Graph Representation Learnt Variables

no code implementations11 Oct 2023 Ziyue Zou, Pratyush Tiwary

This underscores the strength and promise of our graph neural net variables for improved sampling.

Enhanced Sampling with Machine Learning: A Review

no code implementations15 Jun 2023 Shams Mehdi, Zachary Smith, Lukas Herron, Ziyue Zou, Pratyush Tiwary

Molecular dynamics (MD) enables the study of physical systems with excellent spatiotemporal resolution but suffers from severe time-scale limitations.

Dimensionality Reduction

Cannot find the paper you are looking for? You can Submit a new open access paper.