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Strong scaling of general-purpose molecular dynamics simulations on GPUs

Computer physics communications, 2015-07, Vol.192 (C), p.97-107

2015

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Shape and Symmetry Determine Two-Dimensional Melting Transitions of Hard Regular Polygons

Physical review. X, 2017-04, Vol.7 (2), p.021001, Article 021001

2017

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GPU accelerated Discrete Element Method (DEM) molecular dynamics for conservative, faceted particle simulations

Journal of computational physics, 2017-04, Vol.334 (C), p.460-467

2017

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

Journal of computational physics, 2011-08, Vol.230 (19), p.7191-7201

2011

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

Computational materials science, 2020-02, Vol.173, p.109363, Article 109363

2020

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Molecular Dynamics of Ionic Transport and Electrokinetic Effects in Realistic Silica Channels

Journal of physical chemistry. C, 2008-07, Vol.112 (27), p.10222-10232

2008

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General purpose molecular dynamics simulations fully implemented on graphics processing units

Journal of computational physics, 2008-05, Vol.227 (10), p.5342-5359

2008

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

Computer physics communications, 2020-09, Vol.254, p.107275, Article 107275

2020

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A mean-field approach to simulating anisotropic particles

The Journal of chemical physics, 2020-08, Vol.153 (8), p.084106-084106

2020

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Tunable assembly of host-guest colloidal crystals

Soft matter, 2023-09, Vol.19 (36), p.711-719

2023

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Newtonian Event-Chain Monte Carlo and Collision Prediction with Polyhedral Particles

Journal of chemical theory and computation, 2021-08, Vol.17 (8), p.4686-4696

2021

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Rigid body constraints realized in massively-parallel molecular dynamics on graphics processing units

Computer physics communications, 2011-11, Vol.182 (11), p.2307-2313

2011

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Shape-driven entropic self-assembly of an open, reconfigurable, binary host-guest colloidal crystal

Soft matter, 2021-03, Vol.17 (1), p.284-2848

2021

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Efficient neighbor list calculation for molecular simulation of colloidal systems using graphics processing units

Computer physics communications, 2016-06, Vol.203, p.45-52

2016

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Symmetries in hard polygon systems determine plastic colloidal crystal mesophases in two dimensions

Soft matter, 2019-03, Vol.15 (12), p.2571-2579

2019

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Molecular characterization of adenocarcinomas arising in the urinary bladder following augmentation cystoplasty: a multi-institutional study

Human pathology, 2022-11, Vol.129, p.98-102

2022

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Massively parallel Monte Carlo for many-particle simulations on GPUs

Journal of computational physics, 2013-12, Vol.254, p.27-38

2013

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Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework

AIChE journal, 2021-03, Vol.67 (3), p.n/a

2021

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Phase Behavior and Complex Crystal Structures of Self-Assembled Tethered Nanoparticle Telechelics

Nano letters, 2014-04, Vol.14 (4), p.2071-2078

2014

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Nanoparticle assembly Made to order

Nature materials, 2010-11, Vol.9 (11), p.885-887

2010

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Shape allophiles improve entropic assembly

Soft matter, 2015-10, Vol.11 (37), p.7250-7256

2015

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How to Professionally Develop Reusable Scientific Software-And When Not To

Computing in science & engineering, 2019-03, Vol.21 (2), p.66-79

2019

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Invasive poorly differentiated adenocarcinoma of the bladder following augmentation cystoplasty: a multi-institutional clinicopathological study

Pathology, 2021-02, Vol.53 (2), p.214-219

2021

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Optimal filling of shapes

Physical review letters, 2012-05, Vol.108 (19), p.198304-198304, Article 198304

2012

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Hard-disk equation of state: first-order liquid-hexatic transition in two dimensions with three simulation methods

Physical review. E, Statistical, nonlinear, and soft matter physics, 2013-04, Vol.87 (4), p.042134-042134, Article 042134

2013

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Strong scaling of general-purpose molecular dynamics simulations on GPUs

Shape and Symmetry Determine Two-Dimensional Melting Transitions of Hard Regular Polygons

GPU accelerated Discrete Element Method (DEM) molecular dynamics for conservative, faceted particle simulations

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

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

Molecular Dynamics of Ionic Transport and Electrokinetic Effects in Realistic Silica Channels

General purpose molecular dynamics simulations fully implemented on graphics processing units

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

A mean-field approach to simulating anisotropic particles

Tunable assembly of host-guest colloidal crystals

Newtonian Event-Chain Monte Carlo and Collision Prediction with Polyhedral Particles

Rigid body constraints realized in massively-parallel molecular dynamics on graphics processing units

Shape-driven entropic self-assembly of an open, reconfigurable, binary host-guest colloidal crystal

Efficient neighbor list calculation for molecular simulation of colloidal systems using graphics processing units

Symmetries in hard polygon systems determine plastic colloidal crystal mesophases in two dimensions

Molecular characterization of adenocarcinomas arising in the urinary bladder following augmentation cystoplasty: a multi-institutional study

Massively parallel Monte Carlo for many-particle simulations on GPUs

Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework

Phase Behavior and Complex Crystal Structures of Self-Assembled Tethered Nanoparticle Telechelics

Nanoparticle assembly Made to order

Shape allophiles improve entropic assembly

How to Professionally Develop Reusable Scientific Software-And When Not To

Invasive poorly differentiated adenocarcinoma of the bladder following augmentation cystoplasty: a multi-institutional clinicopathological study

Optimal filling of shapes

Hard-disk equation of state: first-order liquid-hexatic transition in two dimensions with three simulation methods

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