Automated crystal characterization with a fast neighborhood graph analysis method

Machine learning for crystal identification and discovery

(2018) Matthew Spellings et al.   AICHE JOURNAL

Molecular dynamics simulation of charged colloids confined between hard walls: pre-melting and pre-freezing across the BCC–fluid coexistence

(2018) Mojtaba Eshraghi et al.   Soft Matter

A Local Order Parameter-Based Method for Simulation of Free Energy Barriers in Crystal Nucleation

(2017) Hossein Eslami et al.   Journal of Chemical Theory and Computation

Mesoscale Simulation and Machine Learning of Asphaltene Aggregation Phase Behavior and Molecular Assembly Landscapes

(2017) Jiang Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Multi-atom pattern analysis for binary superlattices

(2017) Wesley F. Reinhart et al.   Soft Matter

Machine learning for autonomous crystal structure identification

(2017) Wesley F. Reinhart et al.   Soft Matter

Landmark diffusion maps (L-dMaps): Accelerated manifold learning out-of-sample extension

(2017) Andrew W. Long et al.   APPLIED AND COMPUTATIONAL HARMONIC ANALYSIS

Robust structural identification via polyhedral template matching

(2016) Peter Mahler Larsen et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Nonlinear machine learning and design of reconfigurable digital colloids

(2016) Andrew W. Long et al.   Soft Matter

Using DNA to program the self-assembly of colloidal nanoparticles and microparticles

(2016) W. Benjamin Rogers et al.   Nature Reviews Materials

Digital Alchemy for Materials Design: Colloids and Beyond

(2015) Greg van Anders et al.   ACS Nano

Advances in Colloidal Assembly: The Design of Structure and Hierarchy in Two and Three Dimensions

(2015) Nicolas Vogel et al.   CHEMICAL REVIEWS

Colloidal self-assembly concepts for light management in photovoltaics

(2015) Matthias Karg et al.   Materials Today

Machine learning assembly landscapes from particle tracking data

(2015) Andrew W. Long et al.   Soft Matter

Inverse methods for material design

(2014) Avni Jain et al.   AICHE JOURNAL

Photonic Crystals for Chemical Sensing and Biosensing

(2014) Christoph Fenzl et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nonlinear Machine Learning of Patchy Colloid Self-Assembly Pathways and Mechanisms

(2014) Andrew W. Long et al.   JOURNAL OF PHYSICAL CHEMISTRY B

New metastable form of ice and its role in the homogeneous crystallization of water

(2014) John Russo et al.   NATURE MATERIALS

A combinatorial approach to graphlet counting

(2013) Tomaž Hočevar et al.   BIOINFORMATICS

Bottom-up assembly of photonic crystals

(2012) Georg von Freymann et al.   CHEMICAL SOCIETY REVIEWS

Structure identification methods for atomistic simulations of crystalline materials

(2012) Alexander Stukowski   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Fractionalization of interstitials in curved colloidal crystals

(2012) William T. M. Irvine et al.   NATURE MATERIALS

Nonlinear dimensionality reduction in molecular simulation: The diffusion map approach

(2011) Andrew L. Ferguson et al.   CHEMICAL PHYSICS LETTERS

Nucleation barriers in tetrahedral liquids spanning glassy and crystallizing regimes

(2011) Ivan Saika-Voivod et al.   JOURNAL OF CHEMICAL PHYSICS

Crystallization of tetrahedral patchy particles in silico

(2011) Flavio Romano et al.   JOURNAL OF CHEMICAL PHYSICS

High-Efficiency Dye-Sensitized Solar Cell with Three-Dimensional Photoanode

(2011) Nicolas Tétreault et al.   NANO LETTERS

Self-Assembled Photonic Structures

(2010) Juan F. Galisteo-López et al.   ADVANCED MATERIALS

Phase diagram of a tetrahedral patchy particle model for different interaction ranges

(2010) Flavio Romano et al.   JOURNAL OF CHEMICAL PHYSICS

The Free-Energy Landscape of Clusters of Attractive Hard Spheres

(2010) G. Meng et al.   SCIENCE

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

(2009) Alexander Stukowski   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Coarse-graining the dynamics of a driven interface in the presence of mobile impurities: Effective description via diffusion maps

(2009) Benjamin E. Sonday et al.   PHYSICAL REVIEW E

Accurate determination of crystal structures based on averaged local bond order parameters

(2008) Wolfgang Lechner et al.   JOURNAL OF CHEMICAL PHYSICS