149 citations
- University of MichiganUS12 papers
- Brookhaven National LaboratoryUS2 papers
- University of PennsylvaniaUS2 papers
- Ames National LaboratoryUS1 paper
- Argonne National LaboratoryUS1 paper
- Center for Functional Nanomaterials1 paper
- City University of New YorkUS1 paper
- Collaborative Innovation Center of Chemistry for Energy MaterialsCN1 paper
- Fudan UniversityCN1 paper
- Iowa State UniversityUS1 paper
- Malmö UniversitySE1 paper
- Pennsylvania State UniversityUS1 paper
4 papers · 1 filter
Quantifying Local Point-Group-Symmetry Order in Complex Particle Systems
Domagoj Fijan, Maria R. Ward Rashidi, Jenna Bradley +1
Crystals and other condensed phases are defined primarily by their inherent symmetries, which play a crucial role in dictating their structural properties. In crystallization studi…
Change Point Detection of Events in Molecular Simulations using dupin
Brandon L. Butler, Domagoj Fijan, Sharon C. Glotzer
Particle tracking is commonly used to study time-dependent behavior in many different types of physical and chemical systems involving constituents that span many length scales, in…
Efficient Phase Diagram Sampling by Active Learning
Chengyu Dai, Isaac R. Bruss, Sharon C. Glotzer
We address the problem of efficient phase diagram sampling by adopting active learning techniques from machine learning, and achieve an 80% reduction in the sample size (number of…
GPU Accelerated Discrete Element Method (DEM) Molecular Dynamics for Conservative, Faceted Particle Simulations
Matthew Spellings, Ryan L. Marson, Joshua A. Anderson +1
Faceted shapes, such as polyhedra, are commonly found in systems of nanoscale, colloidal, and granular particles. Many interesting physical phenomena, like crystal nucleation and g…