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Molecular dynamics informed calibration of crystal plasticity critical shear stresses for the mesoscopic mechanical modeling of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) single crystal

Journal of applied physics, 2024-02, Vol.135 (7)

2024

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Machine learning accelerated random structure searching: Application to yttrium superhydrides

The Journal of chemical physics, 2022-05, Vol.156 (20), p.204102-204102

2022

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Multiscale Reactive Model for 1,3,5-Triamino-2,4,6-trinitrobenzene Inferred by Reactive MD Simulations and Unsupervised Learning

Journal of physical chemistry. C, 2023-08, Vol.127 (31), p.15556-15572

2023

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Calculation of the shock temperature of moderately porous graphites

Carbon (New York), 2016-07, Vol.103, p.464-472

2016

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Phase diagrams and isotopic effects of normal and deuterated water studied via x-ray diffraction up to 4.5 GPa and 500 K

Physical review. B, Condensed matter and materials physics, 2009-11, Vol.80 (18), Article 180202

2009

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Molecular dynamics simulations of nanocarbons at high pressure and temperature

Carbon (New York), 2009-12, Vol.47 (15), p.3392-3402

2009

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Mesoscopic simulations of shock-to-detonation transition in reactive liquid high explosive

Europhysics letters, 2011-12, Vol.96 (6), p.68007

2011

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Large scale molecular dynamics simulation of self-assembly processes in short and long chain cationic surfactants

Physical chemistry chemical physics : PCCP, 1999-01, Vol.1 (23), p.5277-5290

1999

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A reduced model for shock and detonation waves. II. The reactive case

Europhysics letters, 2007-06, Vol.78 (6), p.68001-68001 ( 6)

2007

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Potential optimization for the calculation of shocked liquid nitromethane properties

Molecular simulation, 2007-11, Vol.33 (13), p.1061-1070

2007

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New potential model for molecular dynamic simulation of liquid HF. II - Parameter optimization for repulsion-dispersion potential

Molecular physics, 2007-01, Vol.105 (1), p.125-135

2007

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The kinetics of heterogeneous nucleation and growth: an approach based on a grain explicit model

Modelling and simulation in materials science and engineering, 2014-04, Vol.22 (3), p.35018-9

2014

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A NEW EXPERIMENTAL DESIGN FOR LASER-DRIVEN SHOCKS ON PRECOMPRESSED AND PREHEATED WATER SAMPLES

AIP conference proceedings, 2007, Vol.955 (1), p.1192-1195

2007

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New potential model for molecular dynamic simulation of liquid HF. I-Parameter optimization for charge equilibration method

Molecular simulation, 2005-08, Vol.31 (10), p.705-713

2005

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Uniaxial Hugoniostat: a method for atomistic simulations of shocked materials

Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 2001-01, Vol.63 (1 Pt 2), p.016121-016121, Article 016121

2001

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Lattice-Gas Simulations of Ternary Amphiphilic Fluid Flow in Porous Media

International journal of modern physics. C, Computational physics, physical computation, 1998-12, Vol.9 (8), p.1479-1490

1998

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First-principles calculation of the melting curve and Hugoniot of tin

Physical review. B, Condensed matter, 2002-07, Vol.66 (1), Article 012103

2002

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Molecular based equation of state for shocked liquid nitromethane

Journal of hazardous materials, 2009-07, Vol.166 (2), p.1120-1126

2009

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Two-dimensional hydrodynamic lattice-gas simulations of binary immiscible and ternary amphiphilic fluid flow through porous media

Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 2000-08, Vol.62 (2 Pt B), p.2898-2913

2000

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Atomistic mechanism for hot spot initiation

Physical review letters, 2002-12, Vol.89 (28 Pt 1), p.285501-285501, Article 285501

2002

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Sampling Constraints in Average: The Example of Hugoniot Curves

Applied mathematics research express, 2010-07

2010

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Transfer matrix spectrum for cyclic representations of the 6-vertex reflection algebra II

SciPost physics, 2018-09, Vol.5 (3), p.026, Article 026

2018

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Mesoscale Modeling of Amphiphilic Fluid Dynamics

Molecular simulation, 2001-01, Vol.26 (1), p.85-100

2001

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Ab initio molecular dynamic study of liquid hydrogen fluorine under pressure

Physical review. B, Condensed matter and materials physics, 2005-12, Vol.72 (22), Article 224103

2005

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Three-dimensional hydrodynamic lattice-gas simulations of binary immiscible and ternary amphiphilic flow through porous media

Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 2001-12, Vol.64 (6 Pt 1), p.061302-061302, Article 061302

2001

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Molecular dynamics informed calibration of crystal plasticity critical shear stresses for the mesoscopic mechanical modeling of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) single crystal

Machine learning accelerated random structure searching: Application to yttrium superhydrides

Multiscale Reactive Model for 1,3,5-Triamino-2,4,6-trinitrobenzene Inferred by Reactive MD Simulations and Unsupervised Learning

Calculation of the shock temperature of moderately porous graphites

Phase diagrams and isotopic effects of normal and deuterated water studied via x-ray diffraction up to 4.5 GPa and 500 K

Molecular dynamics simulations of nanocarbons at high pressure and temperature

Mesoscopic simulations of shock-to-detonation transition in reactive liquid high explosive

Large scale molecular dynamics simulation of self-assembly processes in short and long chain cationic surfactants

A reduced model for shock and detonation waves. II. The reactive case

Potential optimization for the calculation of shocked liquid nitromethane properties

New potential model for molecular dynamic simulation of liquid HF. II - Parameter optimization for repulsion-dispersion potential

The kinetics of heterogeneous nucleation and growth: an approach based on a grain explicit model

A NEW EXPERIMENTAL DESIGN FOR LASER-DRIVEN SHOCKS ON PRECOMPRESSED AND PREHEATED WATER SAMPLES

New potential model for molecular dynamic simulation of liquid HF. I-Parameter optimization for charge equilibration method

Uniaxial Hugoniostat: a method for atomistic simulations of shocked materials

Lattice-Gas Simulations of Ternary Amphiphilic Fluid Flow in Porous Media

First-principles calculation of the melting curve and Hugoniot of tin

Molecular based equation of state for shocked liquid nitromethane

Two-dimensional hydrodynamic lattice-gas simulations of binary immiscible and ternary amphiphilic fluid flow through porous media

Atomistic mechanism for hot spot initiation

Sampling Constraints in Average: The Example of Hugoniot Curves

Transfer matrix spectrum for cyclic representations of the 6-vertex reflection algebra II

Mesoscale Modeling of Amphiphilic Fluid Dynamics

Ab initio molecular dynamic study of liquid hydrogen fluorine under pressure

Three-dimensional hydrodynamic lattice-gas simulations of binary immiscible and ternary amphiphilic flow through porous media

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