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General formulation of pressure and stress tensor for arbitrary many-body interaction potentials under periodic boundary conditions

The Journal of chemical physics, 2009-10, Vol.131 (15), p.154107-154107-6

2009

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Computational aspects of many-body potentials

MRS bulletin, 2012-05, Vol.37 (5), p.513-521

2012

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Implementing molecular dynamics on hybrid high performance computers – Particle–particle particle-mesh

Computer physics communications, 2012-03, Vol.183 (3), p.449-459

2012

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A constant-time kinetic Monte Carlo algorithm for simulation of large biochemical reaction networks

The Journal of chemical physics, 2008-05, Vol.128 (20), p.205101-205101-8

2008

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Evaporation of Lennard-Jones fluids

The Journal of chemical physics, 2011-06, Vol.134 (22), p.224704-224704-13

2011

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LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Computer physics communications, 2022-02, Vol.271 (C), p.108171, Article 108171

2022

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Liquid crystal nanodroplets in solution

The Journal of chemical physics, 2009-01, Vol.130 (4), p.044901-044901-7

2009

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Implementing molecular dynamics on hybrid high performance computers – short range forces

Computer physics communications, 2011-04, Vol.182 (4), p.898-911

2011

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Li‐Ion Synaptic Transistor for Low Power Analog Computing

Advanced materials (Weinheim), 2017-01, Vol.29 (4), p.np-n/a

2017

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A parallel algorithm for the concurrent atomistic-continuum methodology

Journal of computational physics, 2022-08, Vol.463, p.111140, Article 111140

2022

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Parallel algorithms for hyperdynamics and local hyperdynamics

The Journal of chemical physics, 2020-08, Vol.153 (5), p.054116-054116

2020

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Multiscale Co-Design Analysis of Energy, Latency, Area, and Accuracy of a ReRAM Analog Neural Training Accelerator

IEEE journal on emerging and selected topics in circuits and systems, 2018-03, Vol.8 (1), p.86-101

2018

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MapReduce in MPI for Large-scale graph algorithms

Parallel computing, 2011-09, Vol.37 (9), p.610-632

2011

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1D-to-3D transition of phonon heat conduction in polyethylene using molecular dynamics simulations

Physical review. B, Condensed matter and materials physics, 2010-10, Vol.82 (14), Article 144308

2010

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Accelerating dissipative particle dynamics simulations for soft matter systems

Computational materials science, 2015-04, Vol.100 (PB), p.173-180

2015

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Parallel simulation via SPPARKS of on-lattice kinetic and Metropolis Monte Carlo models for materials processing

Modelling and simulation in materials science and engineering, 2023-07, Vol.31 (5), p.55001

2023

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Effect of end-tethered polymers on surface adhesion of glassy polymers

Journal of polymer science. Part B, Polymer physics, 2004-01, Vol.42 (2), p.199-208

2004

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Equilibration of long chain polymer melts in computer simulations

The Journal of chemical physics, 2003-12, Vol.119 (24), p.12718-12728

2003

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Entropic Mixing of Ring/Linear Polymer Blends

ACS polymers Au, 2023-04, Vol.3 (2), p.209-216

2023

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Granular packings with sliding, rolling, and twisting friction

Physical review. E, 2020-09, Vol.102 (3), p.032903-032903, Article 032903

2020

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Particle dynamics modeling methods for colloid suspensions

Computational particle mechanics, 2014-09, Vol.1 (3), p.321-356

2014

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Discrete element simulations of stress distributions in silos: crossover from two to three dimensions

Powder technology, 2004-01, Vol.139 (3), p.233-239

2004

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Streaming data analytics via message passing with application to graph algorithms

Journal of parallel and distributed computing, 2014-08, Vol.74 (8), p.2687-2698

2014

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Optimizing legacy molecular dynamics software with directive-based offload

Computer physics communications, 2015-10, Vol.195 (C), p.95-101

2015

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A historical survey of algorithms and hardware architectures for neural-inspired and neuromorphic computing applications

Biologically inspired cognitive architectures, 2017-01, Vol.19 (C), p.49-64

2017

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General formulation of pressure and stress tensor for arbitrary many-body interaction potentials under periodic boundary conditions

Computational aspects of many-body potentials

Implementing molecular dynamics on hybrid high performance computers – Particle–particle particle-mesh

A constant-time kinetic Monte Carlo algorithm for simulation of large biochemical reaction networks

Evaporation of Lennard-Jones fluids

LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Liquid crystal nanodroplets in solution

Implementing molecular dynamics on hybrid high performance computers – short range forces

Li‐Ion Synaptic Transistor for Low Power Analog Computing

A parallel algorithm for the concurrent atomistic-continuum methodology

Parallel algorithms for hyperdynamics and local hyperdynamics

Multiscale Co-Design Analysis of Energy, Latency, Area, and Accuracy of a ReRAM Analog Neural Training Accelerator

MapReduce in MPI for Large-scale graph algorithms

1D-to-3D transition of phonon heat conduction in polyethylene using molecular dynamics simulations

Accelerating dissipative particle dynamics simulations for soft matter systems

Parallel simulation via SPPARKS of on-lattice kinetic and Metropolis Monte Carlo models for materials processing

Effect of end-tethered polymers on surface adhesion of glassy polymers

Equilibration of long chain polymer melts in computer simulations

Entropic Mixing of Ring/Linear Polymer Blends

Granular packings with sliding, rolling, and twisting friction

Particle dynamics modeling methods for colloid suspensions

Discrete element simulations of stress distributions in silos: crossover from two to three dimensions

Streaming data analytics via message passing with application to graph algorithms

Optimizing legacy molecular dynamics software with directive-based offload

A historical survey of algorithms and hardware architectures for neural-inspired and neuromorphic computing applications

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