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Critical assessment of machine-learned repulsive potentials for the density functional based tight-binding method: A case study for pure silicon

The Journal of chemical physics, 2022-02, Vol.156 (6), p.064101-064101

2022

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Shear transformation distribution and activation in glasses at the atomic scale

Physical review. E, 2017-03, Vol.95 (3-1), p.033005-033005, Article 033005

2017

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Learn on the fly: A hybrid classical and quantum-mechanical molecular dynamics simulation

Physical review letters, 2004-10, Vol.93 (17), p.175503.1-175503.4, Article 175503

2004

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Mapping between atomistic simulations and Eshelby inclusions in the shear deformation of an amorphous silicon model

Physical review. E, 2016-05, Vol.93 (5), p.053002, Article 053002

2016

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Rheological properties vs. local dynamics in model disordered materials at low temperature

The European physical journal. E, Soft matter and biological physics, 2014-05, Vol.37 (5), p.43-43, Article 43

2014

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Low-speed fracture instabilities in a brittle crystal

Nature (London), 2008-10, Vol.455 (7217), p.1224-1227

2008

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A new parametrization of the Stillinger-Weber potential for an improved description of defects and plasticity of silicon

Journal of physics. Condensed matter, 2013-02, Vol.25 (5), p.055801-055801

2013

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Atomistic simulations of elastic and plastic properties in amorphous silicon

Europhysics letters, 2009-06, Vol.86 (6), p.66005-66005P6

2009

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Density functional study of stoichiometric and O-rich titanium oxygen clusters

The Journal of chemical physics, 2000-08, Vol.113 (6), p.2238-2249

2000

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Multiscale hybrid simulation methods for material systems

Journal of physics. Condensed matter, 2005-07, Vol.17 (27), p.R691-R703

2005

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Role of local order in the small-scale plasticity of model amorphous materials

Physical review. E, Statistical, nonlinear, and soft matter physics, 2010-12, Vol.82 (6 Pt 2), p.066116-066116, Article 066116

2010

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CeOx Elastic Properties: An In Situ Nanocompression Study in Environmental Transmission Electron Microscopy (ETEM)

JOM (1989), 2024-05, Vol.76 (5), p.2326-2335

2024

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Stacking fault formation created by plastic deformation at low temperature and small scales in silicon

Physical review materials, 2020-09, Vol.4 (9), Article 093603

2020

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COvid-19 and high-dose VITamin D supplementation TRIAL in high-risk older patients (COVIT-TRIAL): study protocol for a randomized controlled trial

Trials, 2020-12, Vol.21 (1), p.1031-10, Article 1031

2020

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First-principles study of the TiO2(110) surface reduction upon Na adsorption

Physical review. B, Condensed matter and materials physics, 2002-01, Vol.65

2002

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First principles simulations of titanium oxide clusters and surfaces

Faraday discussions, 1999, Vol.114, p.285-304

1999

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Ab initio simulation of titanium dioxide clusters

Applied surface science, 1999-04, Vol.144, p.672-676

1999

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A Novel Quantum/Classical Hybrid Simulation Technique

Chemphyschem, 2005-09, Vol.6 (9), p.1731-1734

2005

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Essor et déclin des télégraphes britanniques en tant que service public

Réseaux (Centre national d'études des télécommunications (France)), 1999, Vol.17 (96), p.207-224

1999

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Ab initio simulations of non-stoichiometric lithium[ndash ]oxygen clusters

Faraday discussions, 1997, Vol.106, p.233-251

1997

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Les nouveaux marchés de la communication et la réglementation

Réseaux (Centre national d'études des télécommunications (France)), 1996, Vol.14 (78), p.29-40

Mansell, Robin

1996

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La télégraphie au service du sultan ou le messager impérial

Réseaux (Centre national d'études des télécommunications (France)), 1994, Vol.12 (67), p.143-152

Bektas, Yakub

1994

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L'Etat, les consommateurs et le monopole naturel

Réseaux (Centre national d'études des télécommunications (France)), 1993, Vol.11 (59), p.9-23

Greene, Harold H.

1993

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Science, technique et économie. Pour une problématique de la traduction

Réseaux (Centre national d'études des télécommunications (France)), 1993, Vol.11 (60), p.61-85

Aitken, Hugh

1993

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Les régimes scopiques de la modernité

Réseaux (Centre national d'études des télécommunications (France)), 1993, Vol.11 (61), p.99-112

Jay, Martin

1993

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Critical assessment of machine-learned repulsive potentials for the density functional based tight-binding method: A case study for pure silicon

Shear transformation distribution and activation in glasses at the atomic scale

Learn on the fly: A hybrid classical and quantum-mechanical molecular dynamics simulation

Mapping between atomistic simulations and Eshelby inclusions in the shear deformation of an amorphous silicon model

Rheological properties vs. local dynamics in model disordered materials at low temperature

Low-speed fracture instabilities in a brittle crystal

A new parametrization of the Stillinger-Weber potential for an improved description of defects and plasticity of silicon

Atomistic simulations of elastic and plastic properties in amorphous silicon

Density functional study of stoichiometric and O-rich titanium oxygen clusters

Multiscale hybrid simulation methods for material systems

Role of local order in the small-scale plasticity of model amorphous materials

CeOx Elastic Properties: An In Situ Nanocompression Study in Environmental Transmission Electron Microscopy (ETEM)

Stacking fault formation created by plastic deformation at low temperature and small scales in silicon

COvid-19 and high-dose VITamin D supplementation TRIAL in high-risk older patients (COVIT-TRIAL): study protocol for a randomized controlled trial

First-principles study of the TiO2(110) surface reduction upon Na adsorption

First principles simulations of titanium oxide clusters and surfaces

Ab initio simulation of titanium dioxide clusters

A Novel Quantum/Classical Hybrid Simulation Technique

Essor et déclin des télégraphes britanniques en tant que service public

Ab initio simulations of non-stoichiometric lithium[ndash ]oxygen clusters

Les nouveaux marchés de la communication et la réglementation

La télégraphie au service du sultan ou le messager impérial

L'Etat, les consommateurs et le monopole naturel

Science, technique et économie. Pour une problématique de la traduction

Les régimes scopiques de la modernité

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