Sun-Ting Tsai

Classification of complex local environments in systems of particle shapes through shape symmetry-encoded data augmentation

Complex local environments classification of shape particles through shape-symmetry encoded data augmentation.

A machine learning strategy for the physics-informed design of nanomaterials using ChIMES

Driving and characterizing nucleation of urea and glycine polymorphs in water

Path sampling of recurrent neural networks by incorporating known physics

Building Kinetic Models for Complex Systems with Arbitrary Memories

Toward automated sampling of polymorph nucleation and free energies with the SGOOP and metadynamics

SGOOP-d: Estimating kinetic distances and reaction coordinate dimensionality for rare event systems from biased/unbiased simulations