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Roadmap on Machine learning in electronic structure

Electronic Structure, 2022-06, Vol.4 (2), p.23004

2022

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Approaching truly freestanding graphene: the structure of hydrogen-intercalated graphene on 6H-SiC(0001)

Physical review letters, 2015-03, Vol.114 (10), p.106804-106804

2015

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Dangling-bond defects and hydrogen passivation in germanium

Applied physics letters, 2007-10, Vol.91 (14), p.142101-142101-3

2007

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Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory

Applied physics letters, 2006-10, Vol.89 (16), p.161919-161919-3

2006

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Unified description of ground and excited states of finite systems: The self-consistent GW approach

Physical review. B, Condensed matter and materials physics, 2012-08, Vol.86 (8)

2012

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Electronic properties of interfaces and defects from many-body perturbation theory: Recent developments and applications

Physica Status Solidi (b), 2011-02, Vol.248 (2), p.275-289

2011

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Requirements of databases for authentication and the control of geographical origin of fruit juices

Lebensmittelchemie, 2020-09, Vol.74 (S2), p.S2-031-S2-031

2020

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Charged oxygen defects in SiO2: going beyond local and semilocal approximations to density functional theory

Physical review letters, 2010-02, Vol.104 (7), p.075502-075502

2010

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Requirements of databases for authentication and the control of geographical origin of fruit juices

Lebensmittelchemie, 2020-09, Vol.74 (S2)

2020

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Predicting gas–particle partitioning coefficients of atmospheric molecules with machine learning

Atmospheric chemistry and physics, 2021-09, Vol.21 (17), p.13227-13246

2021

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Combining GW calculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors

New journal of physics, 2005-05, Vol.7, p.126-126

2005

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Tin dioxide from first principles: Quasiparticle electronic states and optical properties

Physical review. B, Condensed matter and materials physics, 2011-01, Vol.83 (3), Article 035116

2011

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Comment on "band-gap problem in semiconductors revisited: effects of core States and many-body self-consistency"

Physical review letters, 2004-12, Vol.93 (24), p.249701; author reply 249702-249701; author reply 249702, Article 249701

2004

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Approaching Truly Freestanding Graphene: The Structure of Hydrogen-Intercalated Graphene on 6 H − SiC ( 0001 )

Physical review letters, 2015-03, Vol.114 (10), Article 106804

2015

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Charged Oxygen Defects in SiO 2 : Going beyond Local and Semilocal Approximations to Density Functional Theory

Physical review letters, 2010-02, Vol.104 (7), Article 075502

2010

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Electronic properties of interfaces and defects from many-body perturbation feature theory: Recent developments and applications

Physica status solidi. B. Basic research, 2011, Vol.248 (2), p.275-289

2011

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Identification of an apple juice compound directly in the 1H-spectrum of the mixture with hyphenated techniques and push button NMR: example fruit juice screening

Planta medica, 2008, Vol.74 (9)

2008

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23 - Tradition Meets High Tech for Authenticity Testing of Fruit Juices

Advances in Food Authenticity Testing, 2016, p.625-665

Rinke, P.

2016

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Local aspects of hydrogen-induced metallization of the ZnO ( 10 1 ¯ 0 ) surface

Physical review. B, Condensed matter and materials physics, 2015-06, Vol.91 (23), Article 235313

2015

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Energy Conversion: Solid-State Lighting

Computational Approaches to Energy Materials, 2013, p.231-259

2013

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Tradition Meets High Tech for Authenticity Testing of Fruit Juices

Advances in Food Authenticity Testing, 2016, p.1-2

Downey Gerard

2016

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Unified description of ground and excited states of finite systems: The self-consistent G W approach

Physical review. B, Condensed matter and materials physics, 2012-08, Vol.86 (8), Article 081102

2012

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NMR-based Multi Parametric Quality Control of Fruit Juices

Magnetic Resonance in Food Science: Challenges in a Changing World, 2009

2009

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Erratum: Tin dioxide from first principles: Quasiparticle electronic states and optical properties [Phys. Rev. B 83 , 035116 (2011)]

Physical review. B, Condensed matter and materials physics, 2013-06, Vol.87 (23), Article 239901

2013

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Exchange and correlation in small spherical clusters. (BL: DXN065563)

Rinke, P

2003

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Roadmap on Machine learning in electronic structure

Approaching truly freestanding graphene: the structure of hydrogen-intercalated graphene on 6H-SiC(0001)

Dangling-bond defects and hydrogen passivation in germanium

Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory

Unified description of ground and excited states of finite systems: The self-consistent GW approach

Electronic properties of interfaces and defects from many-body perturbation theory: Recent developments and applications

Requirements of databases for authentication and the control of geographical origin of fruit juices

Charged oxygen defects in SiO2: going beyond local and semilocal approximations to density functional theory

Requirements of databases for authentication and the control of geographical origin of fruit juices

Predicting gas–particle partitioning coefficients of atmospheric molecules with machine learning

Combining GW calculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors

Tin dioxide from first principles: Quasiparticle electronic states and optical properties

Comment on "band-gap problem in semiconductors revisited: effects of core States and many-body self-consistency"

Approaching Truly Freestanding Graphene: The Structure of Hydrogen-Intercalated Graphene on 6 H − SiC ( 0001 )

Charged Oxygen Defects in SiO 2 : Going beyond Local and Semilocal Approximations to Density Functional Theory

Electronic properties of interfaces and defects from many-body perturbation feature theory: Recent developments and applications

Identification of an apple juice compound directly in the 1H-spectrum of the mixture with hyphenated techniques and push button NMR: example fruit juice screening

23 - Tradition Meets High Tech for Authenticity Testing of Fruit Juices

Local aspects of hydrogen-induced metallization of the ZnO ( 10 1 ¯ 0 ) surface

Energy Conversion: Solid-State Lighting

Tradition Meets High Tech for Authenticity Testing of Fruit Juices

Unified description of ground and excited states of finite systems: The self-consistent G W approach

NMR-based Multi Parametric Quality Control of Fruit Juices

Erratum: Tin dioxide from first principles: Quasiparticle electronic states and optical properties [Phys. Rev. B 83 , 035116 (2011)]

Exchange and correlation in small spherical clusters. (BL: DXN065563)

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