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Scopus Author ID: 54941136800

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Finland, Germany

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Employment (1)

TU Dresden: Dresden, DE

Emmy Noether junior group leader (Faculty of Chemistry and Food Chemistry)
Employment
Source: Self-asserted source
Dorothea Golze

Funding (3)

Accurate, Exascale-Ready Methods for Theoretical Core-Level Spectroscopy of Complex Materials

2021-01-01 to present | Grant
Deutsche Forschungsgemeinschaft (Bonn, DE)
URL: https://app.dimensions.ai/details/grant/grant.9561460
GRANT_NUMBER: 453275048
Source: Self-asserted source
Dorothea Golze via DimensionsWizard

New frontiers in computational spectroscopy: Advancing the GW method for molecular core excitations

2018-09 to 2021-08 | Grant
Academy of Finland (Helsinki, FI)
GRANT_NUMBER: 316168
Source: Self-asserted source
Dorothea Golze

Accurate Simulation of Core-Level Spectra: Implementation and Application to large Molecular Systems

2016-11-01 to 2018-04-30 | Grant
Swiss National Science Foundation (Bern, CH)
URL: https://app.dimensions.ai/details/grant/grant.6459044
GRANT_NUMBER: 168444
Source: Self-asserted source
Dorothea Golze via DimensionsWizard

Works (25)

Time-frequency component of the GreenX library: minimax grids for efficient RPA and GW calculations

Journal of Open Source Software
2023-10-03 | Journal article | Author
DOI: 10.21105/joss.05570
Part of ISSN: 2475-9066
Contributors: Maryam Azizi; Jan Wilhelm; Dorothea Golze; Matteo Giantomassi; Ramón L. PANADES-BARRUETA; Francisco A. Delesma; Alexander Buccheri; Andris Gulans; Patrick Rinke; Claudia Draxl et al.
Source: Self-asserted source
Dorothea Golze

Accelerating Core-Level <i>GW</i> Calculations by Combining the Contour Deformation Approach with the Analytic Continuation of <i>W</i>

Journal of Chemical Theory and Computation
2023-08-22 | Journal article | Author
DOI: 10.1021/acs.jctc.3c00555
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Contributors: Ramón L. PANADES-BARRUETA; Dorothea Golze
Source: Self-asserted source
Dorothea Golze

Benchmark of <i>GW</i> Methods for Core-Level Binding Energies

Journal of Chemical Theory and Computation
2022-12-13 | Journal article | Author
DOI: 10.1021/acs.jctc.2c00617
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Contributors: Jiachen Li; Ye Jin; Patrick Rinke; Weitao Yang; Dorothea Golze
Source: Self-asserted source
Dorothea Golze

Combining Renormalized Singles <i>GW</i> Methods with the Bethe–Salpeter Equation for Accurate Neutral Excitation Energies

Journal of Chemical Theory and Computation
2022-11-08 | Journal article | Author
DOI: 10.1021/acs.jctc.2c00686
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Contributors: Jiachen Li; Dorothea Golze; Weitao Yang
Source: Self-asserted source
Dorothea Golze

Accurate Computational Prediction of Core-Electron Binding Energies in Carbon-Based Materials: A Machine-Learning Model Combining Density-Functional Theory and GW

Chemistry of Materials
2022-07-26 | Journal article
DOI: 10.1021/acs.chemmater.1c04279
Part of ISSN: 0897-4756
Part of ISSN: 1520-5002
Source: Self-asserted source
Dorothea Golze

Highly conducting single-molecule topological insulators based on mono- and di-radical cations

Nature Chemistry
2022-07-07 | Journal article
DOI: 10.1038/s41557-022-00978-1
Part of ISSN: 1755-4330
Part of ISSN: 1755-4349
Source: Self-asserted source
Dorothea Golze

All-Electron BSE@GW Method for K-Edge Core Electron Excitation Energies

Journal of Chemical Theory and Computation
2022-03-08 | Journal article
DOI: 10.1021/acs.jctc.1c01180
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Source: Self-asserted source
Dorothea Golze

Low-Scaling GW with Benchmark Accuracy and Application to Phosphorene Nanosheets

Journal of Chemical Theory and Computation
2021-03-09 | Journal article
DOI: 10.1021/acs.jctc.0c01282
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Source: Self-asserted source
Dorothea Golze

From flat to tilted: gradual interfaces in organic thin film growth

Nanoscale
2020 | Journal article
DOI: 10.1039/c9nr06592j
Part of ISSN: 2040-3364
Part of ISSN: 2040-3372
Source: Self-asserted source
Dorothea Golze

Relativistic correction scheme for core-level binding energies from GW

The Journal of Chemical Physics
2020 | Journal article
DOI: 10.1063/5.0018231
Source: Self-asserted source
Dorothea Golze

Atomic structures and orbital energies of 61,489 crystal-forming organic molecules

Scientific Data
2020-12 | Journal article
DOI: 10.1038/s41597-020-0385-y
Part of ISSN: 2052-4463
Source: Self-asserted source
Dorothea Golze

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

The Journal of Chemical Physics
2020-05-21 | Journal article
DOI: 10.1063/5.0007045
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Source: Self-asserted source
Dorothea Golze

Accurate Absolute and Relative Core-Level Binding Energies from GW

The Journal of Physical Chemistry Letters
2020-03-05 | Journal article
DOI: 10.1021/acs.jpclett.9b03423
Part of ISSN: 1948-7185
Part of ISSN: 1948-7185
Source: Self-asserted source
Dorothea Golze

Gold diggers: Altered reconstruction of the gold surface by physisorbed aromatic oligomers

Physical Review Materials
2019 | Journal article
DOI: 10.1103/PhysRevMaterials.3.011601
EID:

2-s2.0-85060567039
Contributors: Scarbath-Evers, L.K.; Todorović, M.; Golze, D.; Hammer, R.; Widdra, W.; Sebastiani, D.; Rinke, P.
Source: Self-asserted source
Dorothea Golze via Scopus - Elsevier

Quantum embedding theory in the screened Coulomb interaction: Combining configuration interaction with GW/BSE

Physical Review Materials
2019 | Journal article
DOI: 10.1103/PhysRevMaterials.3.070801
EID:

2-s2.0-85070544392
Contributors: Dvorak, M.; Golze, D.; Rinke, P.
Source: Self-asserted source
Dorothea Golze via Scopus - Elsevier

The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy

Frontiers in Chemistry
2019-07-09 | Journal article
DOI: 10.3389/fchem.2019.00377
Part of ISSN: 2296-2646
Source: Self-asserted source
Dorothea Golze

Core-Level Binding Energies from GW: An Efficient Full-Frequency Approach within a Localized Basis

Journal of Chemical Theory and Computation
2018 | Journal article
DOI: 10.1021/acs.jctc.8b00458
EID:

2-s2.0-85052364899
Contributors: Golze, D.; Wilhelm, J.; Van Setten, M.J.; Rinke, P.
Source: Self-asserted source
Dorothea Golze via Scopus - Elsevier

Silver-Stabilized Guanine Duplex: Structural and Optical Properties

Journal of Physical Chemistry Letters
2018 | Journal article
DOI: 10.1021/acs.jpclett.8b01908
EID:

2-s2.0-85051831735
Contributors: Chen, X.; Makkonen, E.; Golze, D.; Lopez-Acevedo, O.
Source: Self-asserted source
Dorothea Golze via Scopus - Elsevier

Toward GW Calculations on Thousands of Atoms

Journal of Physical Chemistry Letters
2018 | Journal article
DOI: 10.1021/acs.jpclett.7b02740
EID:

2-s2.0-85040718591
Contributors: Wilhelm, J.; Golze, D.; Talirz, L.; Hutter, J.; Pignedoli, C.A.
Source: Self-asserted source
Dorothea Golze via Scopus - Elsevier

Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals

Journal of Chemical Physics
2017 | Journal article
DOI: 10.1063/1.4973510
EID:

2-s2.0-85010014481
Contributors: Golze, D.; Benedikter, N.; Iannuzzi, M.; Wilhelm, J.; Hutter, J.
Source: Self-asserted source
Dorothea Golze via Scopus - Elsevier

Local Fitting of the Kohn-Sham Density in a Gaussian and Plane Waves Scheme for Large-Scale Density Functional Theory Simulations

Journal of Chemical Theory and Computation
2017 | Journal article
DOI: 10.1021/acs.jctc.7b00148
EID:

2-s2.0-85019112079
Contributors: Golze, D.; Iannuzzi, M.; Hutter, J.
Source: Self-asserted source
Dorothea Golze via Scopus - Elsevier

Wetting of water on hexagonal boron nitride@Rh(111): A QM/MM model based on atomic charges derived for nano-structured substrates

Physical Chemistry Chemical Physics
2015 | Journal article
DOI: 10.1039/c4cp04638b
EID:

2-s2.0-84930662050
Contributors: Golze, D.; Hutter, J.; Iannuzzi, M.
Source: Self-asserted source
Dorothea Golze via Scopus - Elsevier

Importance of dispersion forces for prediction of thermodynamic and transport properties of some common ionic liquids

Physical Chemistry Chemical Physics
2014 | Journal article
DOI: 10.1039/c3cp53035c
EID:

2-s2.0-84897106361
Contributors: Izgorodina, E.I.; Golze, D.; Maganti, R.; Armel, V.; Taige, M.; Schubert, T.J.S.; Macfarlane, D.R.
Source: Self-asserted source
Dorothea Golze via Scopus - Elsevier

Simulation of adsorption processes at metallic interfaces: An image charge augmented QM/MM approach

Journal of Chemical Theory and Computation
2013 | Journal article
DOI: 10.1021/ct400698y
EID:

2-s2.0-84887846631
Contributors: Golze, D.; Iannuzzi, M.; Nguyen, M.-T.; Passerone, D.; Hutter, J.
Source: Self-asserted source
Dorothea Golze via Scopus - Elsevier

Implementation of two-qubit and three-qubit quantum computers using liquid-state nuclear magnetic resonance

Concepts in Magnetic Resonance Part A: Bridging Education and Research
2012 | Journal article
DOI: 10.1002/cmr.a.21222
EID:

2-s2.0-84856508086
Contributors: Golze, D.; Icker, M.; Berger, S.
Source: Self-asserted source
Dorothea Golze via Scopus - Elsevier

Peer review (15 reviews for 5 publications/grants)

Review activity for Journal of chemical physics. (3)
Review activity for Journal of chemical theory and computation : (9)
Review activity for Nature reviews physics. (1)
Review activity for npj 2D materials and applications. (1)
Review activity for The journal of physical chemistry letters. (1)
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