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Steepest entropy ascent quantum thermodynamic model of electron and phonon transport

Physical review. B, 2018-01, Vol.97 (2), Article 024308

2018

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Wavelet-based surrogate time series for multiscale simulation of heterogeneous catalysis

Chemical engineering science, 2016-04, Vol.144 (C), p.165-175

2016

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Kinetic Monte Carlo modeling of homogeneous precipitation of Y–O and Y–Ti-O Oxides in bulk alpha iron

Journal of materials science, 2022, Vol.57 (4), p.2710-2730

2022

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Radiation induced segregation in quaternary Fe-Ti-Y-O alloys

Journal of alloys and compounds, 2017-04, Vol.701, p.82-93

2017

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Kinetic Monte Carlo Simulations of Anisotropic Lithium Intercalation into LixFePO4 Electrode Nanocrystals

Advanced functional materials, 2011-07, Vol.21 (13), p.2477-2487

Hin, Céline

2011

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SQERTSS: Dynamic rank based throttling of transition probabilities in kinetic Monte Carlo simulations

Computer physics communications, 2017-10, Vol.219 (C), p.149-163

2017

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The φ‐relation and a simple method to predict how many data points are needed for relevant steady‐state detection

AIChE journal, 2018-09, Vol.64 (9), p.3354-3359

2018

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Formation of Y2O3 nanoclusters in nano-structured ferritic alloys: Modeling of precipitation kinetics and yield strength

Journal of nuclear materials, 2010-07, Vol.402 (1), p.30-37

2010

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Structural and electronic effects of helium interstitials in Y2Ti2O7: A first-principles study

Journal of nuclear materials, 2014-09, Vol.452 (1-3), p.189-196

2014

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Density-functional-theory approach to determine band offsets and dielectric breakdown properties across metal/crystal oxide and metal/amorphous oxide interfaces: A case study of Al/SiO2

Applied surface science, 2019-07, Vol.483, p.616-625

2019

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Electron Transport from Quantum Kinetic Monte Carlo Simulations

Journal of physical chemistry. C, 2018-09, Vol.122 (35), p.20550-20554

2018

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First principles study of band line up at defective metal-oxide interface: oxygen point defects at Al/SiO2 interface

Journal of physics. D, Applied physics, 2016-02, Vol.49 (9)

2016

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Atomic bonding and electrical potential at metal/oxide interfaces, a first principle study

The Journal of chemical physics, 2017-03, Vol.146 (12), p.124706-124706

2017

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Hydrogen release at metal-oxide interfaces: A first principle study of hydrogenated Al/SiO 2 interfaces

Applied surface science, 2017-06, Vol.406, p.128-135

2017

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Investigation of helium at a Y2Ti2O7 nanocluster embedded in a BCC Fe matrix

Physical chemistry chemical physics : PCCP, 2016-11, Vol.18 (43), p.3128-3134

2016

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Hydrogen release at metal-oxide interfaces: A first principle study of hydrogenated Al/SiO2 interfaces

Applied surface science, 2017-06, Vol.406, p.128-135

2017

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Structural and electronic effects of helium interstitials in Y sub(2)Ti sub(2)O sub(7): A first-principles study

Journal of nuclear materials, 2014-09, Vol.452 (1-3), p.189-196

2014

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Modelling the influence of strain fields around precipitates on defect equilibria and kinetics under irradiation in ODS steels: A multi scale approach

Journal of nuclear materials, 2019-12, Vol.527, p.151807, Article 151807

2019

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The F-t-Pj-RG method: An adjacent-rolling-windows based steady-state detection technique for application to kinetic Monte Carlo simulations

Computer physics communications, 2018-11, Vol.232 (C), p.124-138

2018

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Investigation of helium at a Y 2 Ti 2 O 7 nanocluster embedded in a BCC Fe matrix

Physical chemistry chemical physics : PCCP, 2016-11, Vol.18 (43), p.30128-30134

2016

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Generalized adsorption isotherms for molecular and dissociative adsorption of a polar molecular species on two polar surface geometries: Perovskite (100) (Pm-3m) and fluorite (111) (Fm-3m)

The Journal of chemical physics, 2016-08, Vol.145 (6)

2016

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First principles study of band line up at defective metal-oxide interface: oxygen point defects at Al/SiO 2 interface

Journal of physics. D, Applied physics, 2016-03, Vol.49 (9), p.95304

2016

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First principles study of band line up at defective metal-oxide interface: oxygen point defects at Al/SiO sub(2) interface

Journal of physics. D, Applied physics, 2016-03, Vol.49 (9), p.95304-95311

2016

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The φ-relation and a simple method to predict how many data points are needed for relevant steady-state detection

AIChE journal, 2018-05, Vol.64 (9)

2018

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Migration Barriers and Evolution of Mechanical Properties of Oxide Nanoclusters Containing Helium

MRS proceedings, 2015, Vol.1743 (1), p.20-25, Article mrsf14-1743-ww10-04

2015

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Steepest entropy ascent quantum thermodynamic model of electron and phonon transport

Wavelet-based surrogate time series for multiscale simulation of heterogeneous catalysis

Kinetic Monte Carlo modeling of homogeneous precipitation of Y–O and Y–Ti-O Oxides in bulk alpha iron

Radiation induced segregation in quaternary Fe-Ti-Y-O alloys

Kinetic Monte Carlo Simulations of Anisotropic Lithium Intercalation into LixFePO4 Electrode Nanocrystals

SQERTSS: Dynamic rank based throttling of transition probabilities in kinetic Monte Carlo simulations

The φ‐relation and a simple method to predict how many data points are needed for relevant steady‐state detection

Formation of Y2O3 nanoclusters in nano-structured ferritic alloys: Modeling of precipitation kinetics and yield strength

Structural and electronic effects of helium interstitials in Y2Ti2O7: A first-principles study

Density-functional-theory approach to determine band offsets and dielectric breakdown properties across metal/crystal oxide and metal/amorphous oxide interfaces: A case study of Al/SiO2

Electron Transport from Quantum Kinetic Monte Carlo Simulations

First principles study of band line up at defective metal-oxide interface: oxygen point defects at Al/SiO2 interface

Atomic bonding and electrical potential at metal/oxide interfaces, a first principle study

Hydrogen release at metal-oxide interfaces: A first principle study of hydrogenated Al/SiO 2 interfaces

Investigation of helium at a Y2Ti2O7 nanocluster embedded in a BCC Fe matrix

Hydrogen release at metal-oxide interfaces: A first principle study of hydrogenated Al/SiO2 interfaces

Structural and electronic effects of helium interstitials in Y sub(2)Ti sub(2)O sub(7): A first-principles study

Modelling the influence of strain fields around precipitates on defect equilibria and kinetics under irradiation in ODS steels: A multi scale approach

The F-t-Pj-RG method: An adjacent-rolling-windows based steady-state detection technique for application to kinetic Monte Carlo simulations

Investigation of helium at a Y 2 Ti 2 O 7 nanocluster embedded in a BCC Fe matrix

Generalized adsorption isotherms for molecular and dissociative adsorption of a polar molecular species on two polar surface geometries: Perovskite (100) (Pm-3m) and fluorite (111) (Fm-3m)

First principles study of band line up at defective metal-oxide interface: oxygen point defects at Al/SiO 2 interface

First principles study of band line up at defective metal-oxide interface: oxygen point defects at Al/SiO sub(2) interface

The φ-relation and a simple method to predict how many data points are needed for relevant steady-state detection

Migration Barriers and Evolution of Mechanical Properties of Oxide Nanoclusters Containing Helium

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