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Quantum thermal bath for molecular dynamics simulation

Physical review letters, 2009-11, Vol.103 (19), p.190601-190601, Article 190601

2009

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Quantum Thermal Bath for Path Integral Molecular Dynamics Simulation

Journal of chemical theory and computation, 2016-03, Vol.12 (3), p.1351-1359

2016

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Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations

Journal of chemical theory and computation, 2016-12, Vol.12 (12), p.5688-5697

2016

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Surface effects on atomic diffusion in a superionic conductor: A molecular dynamics study of lithium oxide

Surface science, 2013-01, Vol.607, p.118-123

2013

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Proton diffusion mechanisms in the double perovskite cathode material GdBaCo2O5.5: A molecular dynamics study

Solid state ionics, 2017-10, Vol.309, p.187-191

2017

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Isotope effect on hydrogen bond symmetrization in hydrogen and deuterium fluoride crystals by molecular dynamics simulation

Physical chemistry chemical physics : PCCP, 2019-02, Vol.21 (6), p.3211-3217

2019

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Proton diffusion mechanisms in the double perovskite cathode material GdBaCo^sub 2^O^sub 5.5^: A molecular dynamics study

Solid state ionics, 2017-10, Vol.309, p.187

2017

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Proton diffusion mechanisms in the double perovskite cathode material GdBaCo 2 O 5.5 : A molecular dynamics study

Solid state ionics, 2017-10, Vol.309, p.187-191

2017

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Programming the microstructure of magnetic nanocomposites in DLP 3D printing

Additive manufacturing, 2021-11, Vol.47, p.102343, Article 102343

2021

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Isotope effects in lithium hydride and lithium deuteride crystals by molecular dynamics simulations

Journal of physics. Condensed matter, 2012-10, Vol.24 (43), p.435402-435402

2012

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Surface enhanced infrared absorption in dielectric thin films with ultra-strong confinement effects

Applied physics letters, 2014-01, Vol.104 (1)

2014

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Fragmentation of displacement cascades into subcascades: A molecular dynamics study

Journal of nuclear materials, 2015-03, Vol.458, p.168-175

2015

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Magnetoresponsive Devices with Programmable Behavior Using a Customized Commercial Stereolithographic 3D Printer

Advanced materials technologies, 2022-11, Vol.7 (11), p.n/a

2022

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Low-temperature anharmonicity of barium titanate: A path-integral molecular-dynamics study

Physical review. B, Condensed matter and materials physics, 2013-01, Vol.87 (1), Article 014113

2013

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Comment on “Quantum thermal bath for molecular dynamics simulation” reply

Physical review letters, 2011-11, Vol.107 (19)

2011

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Size-dependent infrared properties of MgO nanoparticles with evidence of screening effect

Applied physics letters, 2012-06, Vol.100 (24)

2012

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Kinetic Monte-Carlo simulation of the homoepitaxial growth of MgO{001} thin films by molecular deposition

Surface science, 2012-03, Vol.606 (5-6), p.605-614

2012

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Radiative heat transfer from a black body to dielectric nanoparticles

Physical review. B, Condensed matter and materials physics, 2011-12, Vol.84 (22), Article 224301

2011

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Isotope effects in lithium hydride and lithium deuteride crystals by molecular dynamics simulationsThis work was performed using HPC resources from the 'mesocentre' computing center of Ecole Centrale Paris (ECP), which is supported by ECP and CNRS

Journal of physics. Condensed matter, 2012-10, Vol.24 (43)

2012

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Thermodynamics and kinetics of the Schottky defect at terraces and steps on the MgO(001) surface

Physical chemistry chemical physics : PCCP, 2010-07, Vol.12 (26), p.7251-7257

2010

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Isotope effects in lithium hydride and lithium deuteride crystals by molecular dynamics simulation

Journal of physics. Condensed matter, 2012, Vol.24 (43)

2012

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Dammak et al. Reply

Physical review letters, 2011-11, Vol.107 (19), Article 198902

2011

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Migration and correlation in highly defective systems: Fast-diffusion in lithium oxide

Acta materialia, 2008-04, Vol.56 (6), p.1366-1373

2008

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Kinetic Monte-Carlo simulation of the homoepitaxial growth of MgO\001\ thin films by molecular deposition

Surface science, 2012, Vol.606 (5-6), p.605-614

2012

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Competing mechanisms in the atomic diffusion of a MgO admolecule on the MgO(001) surface

Journal of physics. Condensed matter, 2009-08, Vol.21 (31), p.315004-315004 (7)

2009

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Quantum thermal bath for molecular dynamics simulation

Quantum Thermal Bath for Path Integral Molecular Dynamics Simulation

Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations

Surface effects on atomic diffusion in a superionic conductor: A molecular dynamics study of lithium oxide

Proton diffusion mechanisms in the double perovskite cathode material GdBaCo2O5.5: A molecular dynamics study

Isotope effect on hydrogen bond symmetrization in hydrogen and deuterium fluoride crystals by molecular dynamics simulation

Proton diffusion mechanisms in the double perovskite cathode material GdBaCo^sub 2^O^sub 5.5^: A molecular dynamics study

Proton diffusion mechanisms in the double perovskite cathode material GdBaCo 2 O 5.5 : A molecular dynamics study

Programming the microstructure of magnetic nanocomposites in DLP 3D printing

Isotope effects in lithium hydride and lithium deuteride crystals by molecular dynamics simulations

Surface enhanced infrared absorption in dielectric thin films with ultra-strong confinement effects

Fragmentation of displacement cascades into subcascades: A molecular dynamics study

Magnetoresponsive Devices with Programmable Behavior Using a Customized Commercial Stereolithographic 3D Printer

Low-temperature anharmonicity of barium titanate: A path-integral molecular-dynamics study

Comment on “Quantum thermal bath for molecular dynamics simulation” reply

Size-dependent infrared properties of MgO nanoparticles with evidence of screening effect

Kinetic Monte-Carlo simulation of the homoepitaxial growth of MgO{001} thin films by molecular deposition

Radiative heat transfer from a black body to dielectric nanoparticles

Isotope effects in lithium hydride and lithium deuteride crystals by molecular dynamics simulationsThis work was performed using HPC resources from the 'mesocentre' computing center of Ecole Centrale Paris (ECP), which is supported by ECP and CNRS

Thermodynamics and kinetics of the Schottky defect at terraces and steps on the MgO(001) surface

Isotope effects in lithium hydride and lithium deuteride crystals by molecular dynamics simulation

Dammak et al. Reply

Migration and correlation in highly defective systems: Fast-diffusion in lithium oxide

Kinetic Monte-Carlo simulation of the homoepitaxial growth of MgO\001\ thin films by molecular deposition

Competing mechanisms in the atomic diffusion of a MgO admolecule on the MgO(001) surface

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