Claudia Draxl

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Claudia Draxl is affiliated with the following schools: University of Leoben, Humboldt University of Berlin, University of Graz, University of Vienna

Claudia Draxl's AcademicInfluence.com Rankings

Claudia Draxl

Physics

#4258

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#5881

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Physics

Claudia Draxl's Degrees

PhD Physics University of Vienna

Why Is Claudia Draxl Influential?

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According to Wikipedia, Claudia Draxl is a physicist. She is a full professor at the Humboldt University of Berlin in theoretical condensed-matter physics. Life From 1978 to 1983, Draxl studied mathematics and physics at the University of Graz. She received her doctorate at the University of Graz in theoretical physics in 1987. She finished her habilitation at University of Graz in 1996. From 1996 to 1997, she was a lecturer at the University of Graz. From 1997 to 1998, she was an associate professor at the University of Graz. She was the director of the Institute of Theoretical Physics at the University of Graz from 1999 to 2001, and the deputy director of the very same institute from 2001 to 2004. From 2005 to 2011, she was a university professor at the University of Leoben and had the chair for Atomistic Modelling and Design of Materials. Since 2011, she is a university professor at the Humboldt University of Berlin and has the chair of theoretical condensed-matter physics.

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Claudia Draxl's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Reproducibility in density functional theory calculations of solids (2016) (976)
Big data of materials science: critical role of the descriptor. (2014) (557)
exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory (2014) (254)
NOMAD: The FAIR concept for big data-driven materials science (2018) (225)
Carbon nitride supported Fe2 cluster catalysts with superior performance for alkene epoxidation (2018) (194)
Confined Pyrolysis within Metal-Organic Frameworks To Form Uniform Ru3 Clusters for Efficient Oxidation of Alcohols. (2017) (187)
The NOMAD laboratory: from data sharing to artificial intelligence (2019) (153)
Epitaxial Growth of π-Stacked Perfluoropentacene on Graphene-Coated Quartz (2012) (99)
Learning physical descriptors for materials science by compressed sensing (2016) (95)
Switchable electric polarization and ferroelectric domains in a metal-organic-framework (2016) (90)
Organic/inorganic hybrid materials: challenges for ab initio methodology. (2014) (66)
Accurate all-electron G 0 W 0 quasiparticle energies employing the full-potential augmented plane-wave method (2016) (57)
Step-flow growth in homoepitaxy of β-Ga2O3 (100)—The influence of the miscut direction and faceting (2019) (56)
Computing Equilibrium Shapes of Wurtzite Crystals: The Example of GaN. (2014) (55)
Bethe–Salpeter equation for absorption and scattering spectroscopy: implementation in the exciting code (2019) (52)
Roadmap on organic–inorganic hybrid perovskite semiconductors and devices (2021) (50)
Electric-Magneto-Optical Kerr Effect in a Hybrid Organic-Inorganic Perovskite. (2017) (34)
Estimating excitonic effects in the absorption spectra of solids: problems and insight from a guided iteration scheme. (2014) (33)
Addressing electron-hole correlation in core excitations of solids: An all-electron many-body approach from first principles (2016) (32)
Impact of d -band filling on the dislocation properties of bcc transition metals: The case of tantalum-tungsten alloys investigated by density-functional theory (2017) (30)
Optical spectra from molecules to crystals: Insight from many-body perturbation theory (2015) (30)
Polarized absorbance and Davydov splitting in bulk and thin-film pentacene polymorphs. (2018) (30)
The influence of interstitial carbon on the γ-surface in austenite (2013) (30)
Stability and electronic properties of phosphorene oxides: from 0-dimensional to amorphous 2-dimensional structures. (2017) (29)
Big Data-Driven Materials Science and Its FAIR Data Infrastructure (2019) (29)
Roadmap on Machine learning in electronic structure (2022) (28)
Dimensionality of excitons in stacked van der Waals materials: The example of hexagonal boron nitride (2018) (28)
Light Controls Polymorphism in Thin Films of Sexithiophene (2015) (28)
OPTIMADE, an API for exchanging materials data (2021) (27)
Dynamic structure factors of Cu, Ag, and Au: Comparative study from first principles (2013) (25)
Band renormalization of a polymer physisorbed on graphene investigated by many-body perturbation theory (2012) (25)
Enhanced Light-Matter Interaction in Graphene/h-BN van der Waals Heterostructures. (2017) (25)
FAIR data enabling new horizons for materials research (2022) (25)
State-of-Matter-Dependent Charge-Transfer Interactions between Planar Molecules for Doping Applications (2019) (25)
Magnetic control of spin-orbit fields: a first-principles study of Fe/GaAs junctions. (2013) (23)
Influence of Polymorphism on the Electronic Structure of Ga2O3 (2020) (23)
Microhartree precision in density functional theory calculations (2018) (21)
TiO2 (100) Al2O3 (0001) interface: A first-principles study supported by experiment (2012) (20)
Ab Initio Approach to Second-order Resonant Raman Scattering Including Exciton-Phonon Interaction (2017) (20)
Bound excitons and many-body effects in x-ray absorption spectra of azobenzene-functionalized self-assembled monolayers (2015) (20)
2p x-ray absorption spectroscopy of 3d transition metal systems (2021) (20)
Attosecond-resolved petahertz carrier motion in semi-metallic TiS2 (2018) (20)
Accessing the Anisotropic Nonthermal Phonon Populations in Black Phosphorus (2020) (20)
Predicting Ground-State Configurations and Electronic Properties of the Thermoelectric Clathrates Ba8AlxSi46–x and Sr8AlxSi46–x (2017) (20)
Molecular structure of the substrate-induced thin-film phase of tetracene. (2018) (20)
Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic-Inorganic Lead Halide Perovskites. (2018) (19)
Photoemission signatures of nonequilibrium carrier dynamics from first principles (2019) (19)
Atomic signatures of local environment from core-level spectroscopy in β − Ga 2 O 3 (2016) (18)
Optical properties of azobenzene-functionalized self-assembled monolayers: Intermolecular coupling and many-body interactions. (2016) (18)
Fingerprint of fractional charge transfer at metal/organic interface (2015) (17)
Evidence of Hybrid Excitons in Weakly Interacting Nanopeapods (2013) (16)
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science (2022) (16)
Ultrafast Hot Phonon Dynamics in MgB_{2} Driven by Anisotropic Electron-Phonon Coupling. (2019) (15)
Graphene-modulated photo-absorption in adsorbed azobenzene monolayers. (2017) (15)
Attosecond state-resolved carrier motion in quantum materials probed by soft x-ray XANES (2018) (15)
Understanding the effects of packing and chemical terminations on the optical excitations of azobenzene-functionalized self-assembled monolayers (2017) (15)
Energy-Level Alignment at the Interface of Graphene Fluoride and Boron Nitride Monolayers: An Investigation by Many-Body Perturbation Theory (2016) (14)
Diffusive and massive phase transformations in Ti–Al–Nb alloys-Modelling and experiments (2013) (14)
Small Organic Molecules on Surfaces (2013) (13)
Band gap renormalization, carrier mobilities, and the electron-phonon self-energy in crystalline naphthalene (2020) (13)
Titanium induced polarity inversion in ordered (In,Ga)N/GaN nanocolumns (2016) (13)
The Be K-edge in beryllium oxide and chalcogenides: soft x-ray absorption spectra from first-principles theory and experiment (2013) (13)
Electronic and optical excitations of two-dimensional ZrS2 and HfS2 and their heterostructure (2019) (12)
Hybrid Organic-Inorganic Perovskites as Promising Substrates for Pt Single-Atom Catalysts. (2018) (12)
Melt Growth and Physical Properties of Bulk LaInO3 Single Crystals (2021) (11)
Polymorphism in α-sexithiophene crystals: relative stability and transition path. (2016) (11)
Thermally enhanced Fröhlich coupling in SnSe (2019) (11)
Electronic and Optical Excitations at the Pyridine/ZnO(10 1¯ 0) Hybrid Interface (2018) (10)
Role of the interface in controlling the epitaxial relationship between orthorhombic LaInO3 and cubic BaSnO3 (2020) (10)
Vibrational Effects in X-ray Absorption Spectra of Two-Dimensional Layered Materials (2019) (10)
First-principles study of elastic and thermal properties of scheelite-type molybdates and tungstates (2020) (10)
Structural, electronic, and optical properties of periodic graphene/h-BN van der Waals heterostructures (2020) (10)
Assessment of approaches for dispersive forces employing semihydrogenated graphene as a case study (2017) (9)
Predicting the electronic structure of weakly interacting hybrid systems: The example of nanosized peapod structures (2012) (9)
The Structure of Molecular Orbitals Investigated by Angle-Resolved Photoemission (2013) (9)
Ab initioapproach for gap plasmonics (2016) (9)
The LDA-1/2 Method Applied to Atoms and Molecules. (2018) (8)
Probing the LDA-1/2 method as a starting point forG0W0calculations (2016) (8)
MoTe2 as a natural hyperbolic material across the visible and the ultraviolet region (2020) (7)
First-principles study on lattice instabilities and structural phase transitions in Ba doped La2CuO4 (2015) (7)
Excited State Properties of Organic Semiconductors: Breakdown of the Tamm-Dancoff Approximation (2013) (7)
Electronic Structure of (Organic‐)Inorganic Metal Halide Perovskites: The Dilemma of Choosing the Right Functional (2021) (7)
Spatial Confinement as an Effective Strategy for Improving the Catalytic Selectivity in Acetylene Hydrogenation. (2020) (6)
Density-of-states similarity descriptor for unsupervised learning from materials data (2022) (6)
Computational materials: Open data settled in materials theory (2017) (6)
Phonon-assisted damping of plasmons in three- and two-dimensional metals (2018) (6)
Crystal-Phase Quantum Wires: One-Dimensional Heterostructures with Atomically Flat Interfaces. (2018) (6)
Mapping Atomic Orbitals with the Transmission Electron Microscope: Images of Defective Graphene Predicted from First-Principles Theory. (2016) (6)
Energy-Level Alignment at Organic/Inorganic Interfaces from First Principles: Example of Poly(para-phenylene)/Rock-Salt ZnO(100) (2019) (6)
Fingerprints of optical absorption in the perovskite LaInO3 : Insight from many-body theory and experiment (2021) (6)
Maximally localized Wannier functions within the (L)APW+LO method (2019) (5)
Tuning two-dimensional electron and hole gases at LaInO3/BaSnO3 interfaces by polar distortions, termination, and thickness (2021) (5)
A consistent picture of excitations in cubic BaSnO3 revealed by combining theory and experiment (2021) (5)
Two-dimensional plasmonic polarons in n -doped monolayer MoS2 (2021) (5)
Chirality of Valley Excitons in Monolayer Transition-Metal Dichalcogenides. (2021) (5)
Theoretical description of optical and x-ray absorption spectra of MgO including many-body effects (2020) (4)
The Collaborative Research Center FONDA (2021) (4)
Numerical quality control for DFT-based materials databases (2020) (4)
All-electron full-potential implementation of real-time TDDFT in exciting (2021) (3)
Correction to “Fingerprint of Fractional Charge Transfer at the Metal/Organic Interface” (2017) (3)
Rigamonti et al. Reply. (2016) (3)
Small organic molecules on surfaces : fundamentals and applications (2013) (3)
Robust mixing in self-consistent linearized augmented planewave calculations (2020) (3)
Excitation pathways in resonant inelastic x-ray scattering of solids (2020) (2)
Ab - initio Studies of the Vanadium Ladder Compounds NaV2O5, CaV2O5 and MgV2O5. (2004) (2)
Excitons at the Phase Transition of 2D Hybrid Perovskites (2022) (2)
Roadmap on Electronic Structure Codes in the Exascale Era (2022) (2)
exciting core-level spectroscopy (2017) (2)
Ab–initio approach for gap plasmonics (2018) (2)
Similarity of materials and data-quality assessment by fingerprinting (2022) (2)
Bethe-Salpeter equation for absorption and scattering spectroscopy: Implementation in the $\texttt{exciting}$ code (2019) (2)
Ehrenfest dynamics implemented in the all-electron package exciting (2022) (2)
ElaStic: A universal tool for calculating elastic constants from first principles (2010) (2)
The puzzling Hg family revisited: a comprehensive study based on density functional theory (2006) (1)
Carbon nitride supported Fe2 cluster catalysts with superior performance for alkene epoxidation (2018) (1)
Influence of spin-orbit coupling on chemical bonding (2022) (1)
Hybrid excitations at the interface between a MoS2 monolayer and organic molecules: A first-principles study (2021) (1)
Memory Function Representation for the Electrical Conductivity of Solids (2021) (1)
Assessment of approaches for dispersive forces employing graphone as a case study (2021) (1)
Hybrid Materials: Electronic and Optical Excitations at the Pyridine/ZnO(101¯0) Hybrid Interface (Adv. Theory Simul. 2/2019) (2019) (1)
Rashba and Dresselhaus effects in two-dimensional Pb-I-based perovskites (2021) (1)
Analytical representation of dynamical quantities in G W from a matrix resolvent (2017) (1)
Tuning two-dimensional electron (hole) gases at LaInO3/BaSnO3 interfaces: Impact of polar distortions, termination, and thickness (2021) (1)
Influence of carbon on energetics, electronic structure, and mechanical properties of TiAl alloys (2021) (1)
Partial Order-Disorder Transition Driving Closure of Band Gap: Example of Thermoelectric Clathrates (2020) (1)
All-electron many-body approach to resonant inelastic X-ray scattering. (2022) (1)
Valence and conduction band edges of selenide and sulfide-based kesterites—a study by x-ray based spectroscopy and ab initio theory (2017) (1)
Attosecond Soft-X-Ray Spectroscopy of a Transition Metal Dichalcogenide Material (2019) (1)
First-principles study of Pd-alloyed Cu(111) surface in hydrogen atmosphere at realistic temperatures (2020) (1)
XMCD Spectra Based on DensityFunctional Theory (2011) (1)
Robust excitons across the phase transition of two-dimensional hybrid perovskites (2022) (1)
Lightshow: a Python package for generating computational x-ray absorption spectroscopy input files (2022) (1)
Quality Control of Numerical Settings for DFT Calculations and Materials Databases (2018) (1)
Shared Metadata for Data-Centric Materials Science (2022) (1)
Coupling of Hubbard fermions with phonons in La2 CuO4: A combined study using density-functional theory and the generalized tight-binding method (2015) (1)
Graphene Engineering: An ab initio Study of the Thermodynamic Stability of Epitaxial Graphene and the Surface Reconstructions of Silicon Carbide (2015) (1)
Publisher's Note: Analytical representation of dynamical quantities in GW from a matrix resolvent [Phys. Rev. B 96 , 245124 (2017)] (2019) (0)
Role of the lattice dynamics in La2-xBaxCuO4 superconductor based on DFT method (2010) (0)
How ferroelectric BaTiO$_3$ can tune a two-dimensional electron gas at the interface of LaInO3 and BaSnO$_3$: a first-principles study (2022) (0)
Two-dimensional electron gas at LaInO$_3$/BaSnO$_3$ interfaces controlled by a ferroelectric layer (2022) (0)
First-principles study of second-order Resonance Raman scattering of silicon (2015) (0)
First-principles study of frequency-dependent Resonant Raman Scattering in solids (2015) (0)
Recycle the Waste! (2021) (0)
Enhancing superconductivity with resonant anti-shielding and topological plasmon-polarons (2021) (0)
Masthead (Adv. Theory Simul. 12/2019) (2019) (0)
Masthead (Adv. Theory Simul. 4/2021) (2021) (0)
Excitations in cubic BaSnO3: a consistent picture revealed by combining theory and experiment (2021) (0)
Electronic and Optical Excitations at the Pyridine/ZnO(10<math display="inline" xmlns="http://www.w3.org/1998/Math/MathML"></math>0) Hybrid Interface (2019) (0)
Masthead (Adv. Theory Simul. 6/2021) (2021) (0)
Masthead (Adv. Theory Simul. 8/2020) (2020) (0)
X-ray absorption spectroscopy of oligothiophene crystals from ab initio many-body theory (2023) (0)
Masthead (Adv. Theory Simul. 10/2021) (2021) (0)
Masthead (Adv. Theory Simul. 11/2020) (2020) (0)
Masthead (Adv. Theory Simul. 9/2020) (2020) (0)
Elastic stability of Ga2O3 : Addressing the β to α phase transition from first principles (2021) (0)
Masthead (Adv. Theory Simul. 8/2021) (2021) (0)
Graphene revisited: From orbital mapping to its impact as a substrate (2017) (0)
Fingerprints of Ultrafast Hot Phonon Dynamics in MgB$_2$ (2019) (0)
Polaron-induced band renormalization due to linear and quadratic electron-phonon coupling (2018) (0)
Masthead (Adv. Theory Simul. 4/2022) (2022) (0)
Publisher's Note: “Attosecond state-resolved carrier motion in quantum materials probed by soft x-ray XANES” [Appl. Phys Rev. 8, 011408 (2021)] (2021) (0)
Masthead (Adv. Theory Simul. 2/2022) (2022) (0)
Encapsulation and physical properties of photoactive molecules in SWNT"s (2008) (0)
Masthead (Adv. Theory Simul. 1/2021) (2021) (0)
Multi-code Benchmark on Simulated Ti K-edge X-ray Absorption Spectra of Ti-O Compounds (2023) (0)
Masthead (Adv. Theory Simul. 3/2021) (2021) (0)
Masthead (Adv. Theory Simul. 10/2022) (2022) (0)
Masthead (Adv. Theory Simul. 1/2022) (2022) (0)
Masthead (Adv. Theory Simul. 2/2021) (2021) (0)
Island nucleation of oligophenylene molecules on amorphous surfaces (2011) (0)
Masthead (Adv. Theory Simul. 3/2022) (2022) (0)
Masthead (Adv. Theory Simul. 5/2020) (2020) (0)
Masthead (Adv. Theory Simul. 2/2020) (2020) (0)
Ab initio studies of electron-phonon coupling to the electron self-energy in organic crystals (2019) (0)
Masthead (Adv. Theory Simul. 6/2020) (2020) (0)
Temperature-dependent properties of thermoelectric clathrates (2019) (0)
TEM observation of photoactive molecules encapsulated in SWNT’s (2008) (0)
Electronic structure of representative band-gap materials by all-electron quasiparticle self-consistent GW calculations (2022) (0)
Masthead (Adv. Theory Simul. 4/2020) (2020) (0)
Advancing descriptor search in materials science: feature engineering and selection strategies (2022) (0)
Masthead (Adv. Theory Simul. 7/2021) (2021) (0)
2 2 M ay 2 01 9 Thermally-Enhanced Fröhlich Coupling in SnSe (2019) (0)
Theoretical spectroscopy at hybrid interfaces (2019) (0)
Toward room temperature superconductivity via resonant anti-shielding with topological plasmon-polarons (2023) (0)
First-principle investigation of oxygen-defficiect LSCO (2008) (0)
2 M ar 2 01 8 Microhartree Precision in Density-Functional-Theory Calculations (2018) (0)
Adsorbate phases of H on ZnO $(10 \overline{1}0)$ surface as a function of temperature and pressure from first principles (2017) (0)
OPTIMADE, an API for exchanging materials data (2021) (0)
Opto-electronic excitations of 2D materials: Unraveling similarities through fingerprints(*) (2020) (0)
First-principles study of second-order Resonance Raman scattering (2014) (0)
Masthead (Adv. Theory Simul. 1/2020) (2020) (0)
Atomic signatures of local environment from core spectroscopy in -Ga 2 O 3 (2016) (0)
Ab Initio Approach to Second-order Resonant Raman Scattering Including Exciton-Phonon Interaction (2017) (0)
Artificial intelligence in materials science - hype or revolution? (2019) (0)
Attosecond Soft-X-Ray Spectroscopy in a Transition Metal Dichalcogenide (2019) (0)
Masthead (Adv. Theory Simul. 3/2020) (2020) (0)
University of Groningen Evidence of Hybrid Excitons in Weakly Interacting (2013) (0)
IPAM Program on Machine Learning & Many-Particle Systems-Recent Progress and Open Problems (2017) (0)
Masthead (Adv. Theory Simul. 4/2023) (2023) (0)
Signatures of local environment from atom-resolved core spectroscopy in $\beta$-$\text{Ga}_2\text{O}_3$ (2016) (0)
Masthead (Adv. Theory Simul. 3/2023) (2023) (0)
Masthead (Adv. Theory Simul. 11/2021) (2021) (0)
Correction to "Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic-Inorganic Lead Halide Perovskites". (2018) (0)
Masthead (Adv. Theory Simul. 5/2021) (2021) (0)
Masthead (Adv. Theory Simul. 5/2022) (2022) (0)
Title of Talk: Excited states of organic solids and interfaces with ab initio manybody perturbation theory (2016) (0)
Novel Approach to Structural Relaxation of Materials in Optically Excited States (2022) (0)
Transient attosecond soft-X-ray spectroscopy in layered semi-metals (Conference Presentation) (2020) (0)
Structure solution of organic surface-induced polymorphs by x-ray diffraction reciprocal-space mapping (2011) (0)
Semiconductor superlattices in Voigt geometry (1987) (0)
Masthead (Adv. Theory Simul. 12/2020) (2020) (0)
Masthead (Adv. Theory Simul. 10/2020) (2020) (0)
Fingerprints of stacking order in graphene layers from ab initio second-order Raman spectra (2018) (0)
Fundamentals of inelastic electron scattering (1987) (0)
DFT-based stacking fault energy in the Fe-22.5at.%Mn random alloy above room temperature (2010) (0)
Addressing electron-hole correlation in core excitations of solids: A first-principles all-electron approach based on many-body perturbation theory (2016) (0)
Organic–Organic Heteroepitaxy—The Method of Choice to Tune Optical Emission of Organic Nano-fibers? (2013) (0)
Masthead (Adv. Theory Simul. 9/2021) (2021) (0)
Work-function modification of PEG(thiol) adsorbed on the Au(111) surface: A first-principles study (2019) (0)
Electronic and optical excitations at the pyridine/ZnO(10$\overline{1}$0) hybrid interface. (2018) (0)
First-Principles Study of Frequency-Dependent Resonant Raman Scattering (2016) (0)
Electronic structure of PPP@ZnO from all-electron quasiarticle calculations (2017) (0)
Extrapolation to complete basis-set limit in density-functional theory by quantile random-forest models (2023) (0)
Momentum-resolved non-radiative energy flow in photoexcited black phosphorus (2022) (0)
Masthead (Adv. Theory Simul. 9/2022) (2022) (0)
Gauge Invariance of the Thermal Conductivity in the Quantum Regime (2022) (0)
First-principles study of resonant Raman intensities in semiconductors: the role of excitonic effects (2014) (0)
How a Ferroelectric Layer Can Tune a Two-Dimensional Electron Gas at the Interface of LaInO3 and BaSnO3: A First-Principles Study. (2023) (0)
The role of electron-phonon coupling on optoelectronic properties of crystalline naphthalene from first principles (2018) (0)
Masthead (Adv. Theory Simul. 7/2022) (2020) (0)
Masthead (Adv. Theory Simul. 11/2022) (2022) (0)
Masthead (Adv. Theory Simul. 6/2022) (2022) (0)
Ab-initio investiation of the interface structure of TiO2 grown on Al2O3 (2010) (0)
Masthead (Adv. Theory Simul. 8/2022) (2022) (0)
excitingtools: An exciting Workflow Tool (2023) (0)
First-principles Investigation of Small Polarons in Metal Oxides (2018) (0)

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