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The GW-Method for Quantum Chemistry Applications: Theory and Implementation

Journal of chemical theory and computation, 2013-01, Vol.9 (1), p.232-246

2013

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Quasi-Particle Self-Consistent GW for Molecules

Journal of chemical theory and computation, 2016-06, Vol.12 (6), p.2528-2541

2016

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Dissociative photoionization of phenyl triflate, a photoacid generator for photolithography, at 92 eV

The Journal of chemical physics, 2024-04, Vol.160 (13)

2024

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Off-Diagonal Self-Energy Terms and Partially Self-Consistency in GW Calculations for Single Molecules: Efficient Implementation and Quantitative Effects on Ionization Potentials

Journal of chemical theory and computation, 2015-11, Vol.11 (11), p.5152-5160

2015

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The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table

Computer physics communications, 2018-05, Vol.226, p.39-54

2018

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Hafnium—an optical hydrogen sensor spanning six orders in pressure

Nature communications, 2017-06, Vol.8 (1), p.15718-15718, Article 15718

2017

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The Impact of IGZO Channel Composition on DRAM Transistor Performance

IEEE transactions on electron devices, 2023-09, Vol.70 (9), p.4674-4679

2023

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Lightweight sodium alanate thin films grown by reactive sputtering

Applied physics letters, 2009-09, Vol.95 (12), p.121904-121904-3

2009

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Electronic structure and optical properties of lightweight metal hydrides

Physical review. B, Condensed matter and materials physics, 2007-01, Vol.75 (3), Article 035204

2007

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Automation methodologies and large-scale validation for GW: Towards high-throughput GW calculations

Physical review. B, 2017-10, Vol.96 (15)

2017

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In-Situ Deposition of Alkali and Alkaline Earth Hydride Thin Films To Investigate the Formation of Reactive Hydride Composites

Journal of physical chemistry. C, 2010-08, Vol.114 (32), p.13895-13901

2010

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Quantum size effects in the atomistic structure of armchair nanoribbons

Physical review. B, Condensed matter and materials physics, 2012-03, Vol.85 (12), Article 125433

2012

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On the enthalpy of formation of aluminum diboride, AlB2

Journal of alloys and compounds, 2009-05, Vol.477 (1-2), p.L11-L12

2009

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Device engineering guidelines for performance boost in IGZO front gated TFTs based on defect control

2022 International Conference on IC Design and Technology (ICICDT), 2022, p.88-88

2022

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Hydrogenography of MgyNi1-yHx gradient thin films: Interplay between the thermodynamics and kinetics of hydrogenation

Acta materialia, 2010, Vol.58 (2), p.658-668

2010

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Computing elastic tensors of amorphous materials from first-principles

Computational materials science, 2024-06, Vol.242, p.113042, Article 113042

2024

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On the elastic tensors of ultra-thin films: A study of ruthenium

Applied surface science, 2022-08, Vol.592, p.153194, Article 153194

2022

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Combination of ab initio descriptors and machine learning approach for the prediction of the plasticity mechanisms in β-metastable Ti alloys

Materials & design, 2024-03, Vol.239, p.112801, Article 112801

2024

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A new phase in the decomposition of Mg(BH4)2: first-principles simulated annealing

Journal of materials chemistry, 2009, Vol.19 (38), p.7081-7087

2009

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Understanding and modelling the PBTI reliability of thin-film IGZO transistors

2021 IEEE International Electron Devices Meeting (IEDM), 2021, p.31.1.1-31.1.4

2021

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Characterizing and Modelling of the BTI Reliability in IGZO-TFT using Light-assisted I-V Spectroscopy

2022 International Electron Devices Meeting (IEDM), 2022, p.30.1.1-30.1.4

2022

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Insights into cation disorder and phase transitions in CZTS from a first-principles approach

Physical review materials, 2018-08, Vol.2 (8), Article 085403

2018

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Ultra-low Leakage IGZO-TFTs with Raised Source/Drain for Vt > 0 V and Ion > 30 µA/µm

2022 IEEE Symposium on VLSI Technology and Circuits (VLSI Technology and Circuits), 2022, p.292-293

2022

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Ab initio study of Mg(AlH4)2

Physical review. B, Condensed matter and materials physics, 2005-08, Vol.72 (7), p.073107.1-073107.4, Article 073107

2005

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Automation methodologies and large-scale validation for G W : Towards high-throughput G W calculations

Physical review. B, 2017-10, Vol.96 (15), Article 155207

2017

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The GW-Method for Quantum Chemistry Applications: Theory and Implementation

Quasi-Particle Self-Consistent GW for Molecules

Dissociative photoionization of phenyl triflate, a photoacid generator for photolithography, at 92 eV

Off-Diagonal Self-Energy Terms and Partially Self-Consistency in GW Calculations for Single Molecules: Efficient Implementation and Quantitative Effects on Ionization Potentials

The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table

Hafnium—an optical hydrogen sensor spanning six orders in pressure

The Impact of IGZO Channel Composition on DRAM Transistor Performance

Lightweight sodium alanate thin films grown by reactive sputtering

Electronic structure and optical properties of lightweight metal hydrides

Automation methodologies and large-scale validation for GW: Towards high-throughput GW calculations

In-Situ Deposition of Alkali and Alkaline Earth Hydride Thin Films To Investigate the Formation of Reactive Hydride Composites

Quantum size effects in the atomistic structure of armchair nanoribbons

On the enthalpy of formation of aluminum diboride, AlB2

Device engineering guidelines for performance boost in IGZO front gated TFTs based on defect control

Hydrogenography of MgyNi1-yHx gradient thin films: Interplay between the thermodynamics and kinetics of hydrogenation

Computing elastic tensors of amorphous materials from first-principles

On the elastic tensors of ultra-thin films: A study of ruthenium

Combination of ab initio descriptors and machine learning approach for the prediction of the plasticity mechanisms in β-metastable Ti alloys

A new phase in the decomposition of Mg(BH4)2: first-principles simulated annealing

Understanding and modelling the PBTI reliability of thin-film IGZO transistors

Characterizing and Modelling of the BTI Reliability in IGZO-TFT using Light-assisted I-V Spectroscopy

Insights into cation disorder and phase transitions in CZTS from a first-principles approach

Ultra-low Leakage IGZO-TFTs with Raised Source/Drain for Vt > 0 V and Ion > 30 µA/µm

Ab initio study of Mg(AlH4)2

Automation methodologies and large-scale validation for G W : Towards high-throughput G W calculations

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