High Performance Solution of Skew-symmetric Eigenvalue Problems with Applications in Solving the Bethe-Salpeter Eigenvalue Problem
Andreas Marek , Claudia Draxl , Peter Benner , Carolin Penke
parallel computing 96 102639
1
2020
2p x-ray absorption spectroscopy of 3d transition metal systems
Atsushi Hariki , Michael Odelius , Mauro Stener , Harry Ramanantoanina
Journal of Electron Spectroscopy and Related Phenomena 249 147061
23
2021
Theoretical description of optical and x-ray absorption spectra of MgO including many-body effects
Rossitza Pentcheva , Markus E. Gruner , Christian Vorwerk , Claudia Draxl
Physical Review B 103 ( 19)
2021
Influence of Polymorphism on the Electronic Structure of Ga2O3
Jack EN Swallow , Christian Vorwerk , Piero Mazzolini , Patrick Vogt
Chemistry of Materials
29
2020
Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic-Inorganic Lead Halide Perovskites.
Christian Vorwerk , Claudia Hartmann , Caterina Cocchi , Golnaz Sadoughi
Journal of Physical Chemistry Letters 9 ( 8) 1852 -1858
12
2018
Real-space multiple-scattering Hubbard model calculations for d- and f-state materials.
Christian Vorwerk , Kevin Jorissen , John Rehr , Towfiq Ahmed
Journal of Synchrotron Radiation 22 ( 4) 1042 -1048
2015
LayerOptics: Microscopic modeling of optical coefficients in layered materials
Christian Vorwerk , Caterina Cocchi , Claudia Draxl
Computer Physics Communications 201 119 -125
14
2016
GIMS: Graphical Interface for Materials Simulations
Sebastian Kokott , Iker Hurtado , Christian Vorwerk , Claudia Draxl
Journal of Open Source Software 6 ( 57) 2767
2021
Fast optical absorption spectra calculations for periodic solid state systems
Felix Henneke , Lin Lin , Christian Vorwerk , Claudia Draxl
Communications in Applied Mathematics and Computational Science 15 ( 1) 89 -113
1
2020
Addressing electron-hole correlation in core excitations of solids: An all-electron many-body approach from first principles
Christian Vorwerk , Caterina Cocchi , Claudia Draxl
Physical Review B 95 ( 15) 155121
23
2017
Bethe–Salpeter equation for absorption and scattering spectroscopy: implementation in the exciting code
Christian Vorwerk , Benjamin Aurich , Caterina Cocchi , Claudia Draxl
Electronic Structure 1 ( 3) 037001
27
2019
Ab Initio Predictions of Spin Defects in Simple Oxides
Joel Davidsson , Christian Vorwerk , Giulia Galli
arXiv preprint arXiv:2302.07523
2023
Quantum embedding theories to simulate condensed systems on quantum computers
Christian Vorwerk , Nan Sheng , Marco Govoni , Benchen Huang
Nature Computational Science 2 ( 7) 424 -432
11
2022
Five-second coherence of a single spin with single-shot readout in silicon carbide
Christopher P Anderson , Elena O Glen , Cyrus Zeledon , Alexandre Bourassa
Science advances 8 ( 5) eabm5912
26
2022
Lightshow: a Python package for generating computational x-ray absorption spectroscopy input files
Matthew R Carbone , Fanchen Meng , Christian Vorwerk , Benedikt Maurer
Journal of Open Source Software 8 ( BNL-224653-2023-JAAM)
3
2023
Lightshow: a Python package for generating computational x-ray absorption spectroscopy input files
Matthew R Carbone , Fanchen Meng , Christian Vorwerk , Benedikt Maurer
arXiv preprint arXiv:2211.04452
1
2022
Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds
Fanchen Meng , Benedikt Maurer , Fabian Peschel , Sencer Selcuk
Physical Review Materials 8 ( 1) 013801 -013801
5
2024
Multi-code Benchmark on Ti K-edge X-ray Absorption Spectra of Ti-O Compounds
John Vinson , Fanchen Meng , Senser Selcuk , Mark Hybertsen
APS March Meeting Abstracts 2022 D12. 005 -D12. 005
2022
Green’s function formulation of quantum defect embedding theory
Nan Sheng , Christian Vorwerk , Marco Govoni , Giulia Galli
Journal of Chemical Theory and Computation 18 ( 6) 3512 -3522
35
2022
Optical properties of neutral F centers in bulk MgO with density matrix embedding
Shreya Verma , Abhishek Mitra , Yu Jin , Soumi Haldar
The Journal of Physical Chemistry Letters 14 ( 34) 7703 -7710
10
2023