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Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8

Journal of the American Chemical Society, 2011-08, Vol.133 (32), p.12398-12401

2011

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Competitive I2 Sorption by Cu-BTC from Humid Gas Streams

Chemistry of materials, 2013-07, Vol.25 (13), p.2591-2596

2013

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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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ExaWind: Open‐source CFD for hybrid‐RANS/LES geometry‐resolved wind turbine simulations in atmospheric flows

Wind energy (Chichester, England), 2024-03, Vol.27 (3), p.225-257

2024

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Atomistic simulations of biologically realistic transmembrane potential gradients

The Journal of chemical physics, 2004-12, Vol.121 (22), p.10847-10851

2004

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Extension and evaluation of the multilevel summation method for fast long-range electrostatics calculations

The Journal of chemical physics, 2014-06, Vol.140 (23), p.234112-234112

2014

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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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An energy-conserving two-temperature model of radiation damage in single-component and binary Lennard-Jones crystals

The Journal of chemical physics, 2009-08, Vol.131 (7), p.074701-074701

2009

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A two-temperature model of radiation damage in α -quartz

The Journal of chemical physics, 2010-10, Vol.133 (14), p.144711-144711-11

2010

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Performance modeling of microsecond scale biological molecular dynamics simulations on heterogeneous architectures

Concurrency and computation, 2013-07, Vol.25 (10), p.1356-1375

2013

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Molecular Dynamics Simulation of Dark-adapted Rhodopsin in an Explicit Membrane Bilayer: Coupling between Local Retinal and Larger Scale Conformational Change

Journal of molecular biology, 2003-10, Vol.333 (3), p.493-514

2003

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Electron–ion coupling effects on simulations of radiation damage in pyrochlore waste forms

Journal of physics. Condensed matter, 2010-06, Vol.22 (22), p.225405-225405

2010

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Model Channel Ion Currents in NaCl-Extended Simple Point Charge Water Solution with Applied-Field Molecular Dynamics

Biophysical journal, 2001-12, Vol.81 (6), p.3077-3089

2001

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Substructured molecular dynamics using multibody dynamics algorithms

International journal of non-linear mechanics, 2008-12, Vol.43 (10), p.1040-1055

2008

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How a small change in retinal leads to G-protein activation: Initial events suggested by molecular dynamics calculations

Proteins, structure, function, and bioinformatics, 2007-02, Vol.66 (3), p.559-574

2007

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Competitive I 2 Sorption by Cu-BTC from Humid Gas Streams

Chemistry of materials, 2013-07, Vol.25 (13), p.2591-2596

2013

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Examining the Origins of the Hydration Force Between Lipid Bilayers Using All-Atom Simulations

The Journal of membrane biology, 2010-05, Vol.235 (1), p.1-15

2010

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From the gating charge response to pore domain movement: Initial motions of Kv1.2 dynamics under physiological voltage changes

Molecular membrane biology, 2009-12, Vol.26 (8), p.397-421

2009

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How Environment Supports a State: Molecular Dynamics Simulations of Two States in Bacteriorhodopsin Suggest Lipid and Water Compensation

Biophysical journal, 2004-07, Vol.87 (1), p.129-145

2004

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Molecular dynamics simulation of continuous current flow through a model biological membrane channel

Physical review letters, 2001-03, Vol.86 (11), p.2467-2470

2001

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Wind energy (Chichester, England), 2024-03, Vol.27 (3), p.1-1

2024

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Wind energy (Chichester, England), 2024-03, Vol.27 (3), p.1-1

2024

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Wind energy (Chichester, England), 2024-03, Vol.27 (3), p.1-1

2024

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Activity coefficient prediction by osmotic molecular dynamics

Fluid phase equilibria, 2002-01, Vol.193 (1), p.53-73

2002

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Collaborative learning in practice: coaching to support student learners in healthcare

1, 2021

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Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8

Competitive I2 Sorption by Cu-BTC from Humid Gas Streams

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

ExaWind: Open‐source CFD for hybrid‐RANS/LES geometry‐resolved wind turbine simulations in atmospheric flows

Atomistic simulations of biologically realistic transmembrane potential gradients

Extension and evaluation of the multilevel summation method for fast long-range electrostatics calculations

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

An energy-conserving two-temperature model of radiation damage in single-component and binary Lennard-Jones crystals

A two-temperature model of radiation damage in α -quartz

Performance modeling of microsecond scale biological molecular dynamics simulations on heterogeneous architectures

Molecular Dynamics Simulation of Dark-adapted Rhodopsin in an Explicit Membrane Bilayer: Coupling between Local Retinal and Larger Scale Conformational Change

Electron–ion coupling effects on simulations of radiation damage in pyrochlore waste forms

Model Channel Ion Currents in NaCl-Extended Simple Point Charge Water Solution with Applied-Field Molecular Dynamics

Substructured molecular dynamics using multibody dynamics algorithms

How a small change in retinal leads to G-protein activation: Initial events suggested by molecular dynamics calculations

Competitive I 2 Sorption by Cu-BTC from Humid Gas Streams

Examining the Origins of the Hydration Force Between Lipid Bilayers Using All-Atom Simulations

From the gating charge response to pore domain movement: Initial motions of Kv1.2 dynamics under physiological voltage changes

How Environment Supports a State: Molecular Dynamics Simulations of Two States in Bacteriorhodopsin Suggest Lipid and Water Compensation

Molecular dynamics simulation of continuous current flow through a model biological membrane channel

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Activity coefficient prediction by osmotic molecular dynamics

Collaborative learning in practice: coaching to support student learners in healthcare

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