93 citations · 205 across the 16 of their papers we have counts for
17 papers
Mapping recrystallization trajectories in GaAs using latent space diffraction analysis
Ellis Rae Kennedy, Kwanghwi Je, Erik Thiede
Recrystallization in disordered solids proceeds through a sequence of local structural rearrangements that are difficult to resolve using conventional diffraction analysis. In amor…
A Transformer-based Model for Rapid Microstructure Inference from Four-Dimensional Scanning Transmission Electron Microscopy Data
Kwanghwi Je, Ellis R. Kennedy, Sungin Kim +2
Properties of crystalline materials are closely linked to microstructure arising from the spatial arrangement, orientation, and phase of nanocrystals. Rapid characterization of cry…
Cryo-EM as a Stochastic Inverse Problem
Diego Sanchez Espinosa, Erik H Thiede, Yunan Yang
Cryo-electron microscopy (Cryo-EM) enables high-resolution imaging of biomolecules, but structural heterogeneity remains a major challenge in 3D reconstruction. Traditional methods…
Error Breakdown and Sensitivity Analysis of Dynamical Quantities in Markov State Models
Yehor Tuchkov, Luke Evans, Sonya M. Hanson +1
Markov state models (MSMs) are widely employed to analyze the kinetics of complex systems. But despite their effectiveness in many applications, MSMs are prone to systematic or sta…
Ensemble reweighting using Cryo-EM particles
Wai Shing Tang, David Silva-Sánchez, Julian Giraldo-Barreto +5
Cryo-electron microscopy (cryo-EM) has recently become a premier method for obtaining high-resolution structures of biological macromolecules. However, it is limited to biomolecula…
Unifying O(3) Equivariant Neural Networks Design with Tensor-Network Formalism
Zimu Li, Zihan Pengmei, Han Zheng +3
Many learning tasks, including learning potential energy surfaces from ab initio calculations, involve global spatial symmetries and permutational symmetry between atoms or general…