Tuning Stoichiometry to Promote Formation of Binary Colloidal Superlattices

An Artificial Neural Network Reveals the Nucleation Mechanism of a Binary Colloidal AB13 Crystal

(2021) Gabriele M. Coli et al.   ACS Nano

Tuning the Glass Transition: Enhanced Crystallization of the Laves Phases in Nearly Hard Spheres

(2020) Tonnishtha Dasgupta et al.   ACS Nano

freud: A software suite for high throughput analysis of particle simulation data

(2020) Vyas Ramasubramani et al.   COMPUTER PHYSICS COMMUNICATIONS

Inverse methods for design of soft materials

(2020) Zachary M. Sherman et al.   JOURNAL OF CHEMICAL PHYSICS

Spontaneous Crystallization in Systems of Binary Hard Sphere Colloids

(2020) Praveen K. Bommineni et al.   PHYSICAL REVIEW LETTERS

Complex Crystals from Size-Disperse Spheres

(2019) Praveen K. Bommineni et al.   PHYSICAL REVIEW LETTERS

Using symmetry to elucidate the importance of stoichiometry in colloidal crystal assembly

(2019) Nathan A. Mahynski et al.   Nature Communications

Engineering entropy for the inverse design of colloidal crystals from hard shapes

(2019) Yina Geng et al.   Science Advances

Influence of Softness on the Stability of Binary Colloidal Crystals

(2019) R. Allen LaCour et al.   ACS Nano

HOOMD-blue: A Python package for high-performance molecular dynamics and hard particle Monte Carlo simulations

(2019) Joshua A. Anderson et al.   COMPUTATIONAL MATERIALS SCIENCE

Simple data and workflow management with the signac framework

(2018) Carl S. Adorf et al.   COMPUTATIONAL MATERIALS SCIENCE

Inverse design of multicomponent assemblies

(2018) William D. Piñeros et al.   JOURNAL OF CHEMICAL PHYSICS

Local order and crystallization of dense polydisperse hard spheres

(2018) Daniele Coslovich et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Assembly of three-dimensional binary superlattices from multi-flavored particles

(2018) Evan Pretti et al.   Soft Matter

Formation of Laves phases in buoyancy matched hard sphere suspensions

(2018) N. Schaertl et al.   Soft Matter

Inverse design of simple pair potentials for the self-assembly of complex structures

(2018) Carl S. Adorf et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular simulation of homogeneous crystal nucleation of AB2 solid phase from a binary hard sphere mixture

(2017) Praveen Kumar Bommineni et al.   JOURNAL OF CHEMICAL PHYSICS

Self-Assembly of Colloidal Nanocrystals: From Intricate Structures to Functional Materials

(2016) Michael A. Boles et al.   CHEMICAL REVIEWS

Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations

(2016) Gabriele C. Sosso et al.   CHEMICAL REVIEWS

Scalable Metropolis Monte Carlo for simulation of hard shapes

(2016) Joshua A. Anderson et al.   COMPUTER PHYSICS COMMUNICATIONS

Effect of inter-species selective interactions on the thermodynamics and nucleation free-energy barriers of a tessellating polyhedral compound

(2016) Fernando A. Escobedo   JOURNAL OF CHEMICAL PHYSICS

Digital Alchemy for Materials Design: Colloids and Beyond

(2015) Greg van Anders et al.   ACS Nano

Strong scaling of general-purpose molecular dynamics simulations on GPUs

(2015) Jens Glaser et al.   COMPUTER PHYSICS COMMUNICATIONS

XSEDE: Accelerating Scientific Discovery

(2014) John Towns et al.   COMPUTING IN SCIENCE & ENGINEERING

Connection between the packing efficiency of binary hard spheres and the glass-forming ability of bulk metallic glasses

(2014) Kai Zhang et al.   PHYSICAL REVIEW E

Engineering Catalytic Contacts and Thermal Stability: Gold/Iron Oxide Binary Nanocrystal Superlattices for CO Oxidation

(2013) Yijin Kang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Self-assembly of binary space-tessellating compounds

(2012) Mihir R. Khadilkar et al.   JOURNAL OF CHEMICAL PHYSICS

Predictive Self-Assembly of Polyhedra into Complex Structures

(2012) P. F. Damasceno et al.   SCIENCE

In search of colloidal hard spheres

(2012) C. Patrick Royall et al.   Soft Matter

Pseudo-random number generation for Brownian Dynamics and Dissipative Particle Dynamics simulations on GPU devices

(2011) Carolyn L. Phillips et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Theoretical perspective on the glass transition and amorphous materials

(2011) Ludovic Berthier et al.   REVIEWS OF MODERN PHYSICS

A mechanistic view of binary colloidal superlattice formation using DNA-directed interactions

(2011) Raynaldo T. Scarlett et al.   Soft Matter

Phase behaviour of deionized binary mixtures of charged colloidal spheres

(2009) Nina J Lorenz et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

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

General purpose molecular dynamics simulations fully implemented on graphics processing units

(2008) Joshua A. Anderson et al.   JOURNAL OF COMPUTATIONAL PHYSICS