Predicting the Extreme

Información del proyecto

PREXTREME

Identificador del acuerdo de subvención: 101076233

DOI

10.3030/101076233

Fecha de la firma de la CE 9 Diciembre 2022

Fecha de inicio 1 Marzo 2023

Fecha de finalización 29 Febrero 2028

Financiado con arreglo a

• European Research Council (ERC)

Coste total

€ 1 486 250,00

Aportación de la UE

€ 1 486 250,00

Coordinado por

HELMHOLTZ-ZENTRUM DRESDEN-ROSSENDORF EV
Germany

CORDIS proporciona enlaces a los documentos públicos y las publicaciones de los proyectos de los programas marco HORIZONTE.

Los enlaces a los documentos y las publicaciones de los proyectos del Séptimo Programa Marco, así como los enlaces a algunos tipos de resultados específicos, como conjuntos de datos y «software», se obtienen dinámicamente de OpenAIRE .

Resultado final

Data Management Plan (1)

Data Management Plan

Creation and regular update of the DMP

Publicaciones

Peer reviewed articles (30)

Modeling of warm dense hydrogen via explicit real-time electron dynamics: Dynamic structure factors

Autores: Pontus Svensson, Yusuf Aziz, Tobias Dornheim, Sam Azadi, Patrick Hollebon, Amy Skelt, Sam M. Vinko, Gianluca Gregori
Publicado en: Physical Review E, Edición 110, 2024, ISSN 2470-0045
Editor: American Physical Society (APS)
DOI: 10.1103/PHYSREVE.110.055205

Effects of mosaic crystal instrument functions on x-ray Thomson scattering diagnostics

Autores: Thomas Gawne, Hannah Bellenbaum, Luke B. Fletcher, Karen Appel, Carsten Baehtz, Victorien Bouffetier, Erik Brambrink, Danielle Brown, Attila Cangi, Adrien Descamps, Sebastian Goede, Nicholas J. Hartley, Marie-Luise Herbert, Philipp Hesselbach, Hauke Höppner, Oliver S. Humphries, Zuzana Konôpková, Alejandro Laso Garcia, Björn Lindqvist, Julian Lütgert, Michael J. MacDonald, Mikako Makita, Willow Martin, Mikhail Mishchenko, Zhandos A. Moldabekov, Motoaki Nakatsutsumi, Jean-Paul Naedler, Paul Neumayer, Alexander Pelka, Chongbing Qu, Lisa Randolph, Johannes Rips, Toma Toncian, Jan Vorberger, Lennart Wollenweber, Ulf Zastrau, Dominik Kraus, Thomas R. Preston, Tobias Dornheim
Publicado en: Journal of Applied Physics, Edición 136, 2024, ISSN 0021-8979
Editor: AIP Publishing
DOI: 10.1063/5.0222072

Ultrafast Heating-Induced Suppression of <i>d</i>-Band Dominance in the Electronic Excitation Spectrum of Cuprum

Autores: Zhandos Moldabekov, Thomas D. Gawne, Sebastian Schwalbe, Thomas R. Preston, Jan Vorberger, Tobias Dornheim
Publicado en: ACS Omega, Edición 9, 2024, ISSN 2470-1343
Editor: American Chemical Society (ACS)
DOI: 10.1021/ACSOMEGA.4C02920

Physical insights from imaginary-time density–density correlation functions

Autores: Tobias Dornheim; Zhandos A. Moldabekov; Panagiotis Tolias; Maximilian Böhme; Jan Vorberger
Publicado en: Matter and Radiation at Extremes, 2023, ISSN 2468-2047
Editor: AIP
DOI: 10.1063/5.0149638

On the Density–Density Correlations of the Non‐Interacting Finite Temperature Electron Gas

Autores: Panagiotis Tolias, Tobias Dornheim, Jan Vorberger
Publicado en: Contributions to Plasma Physics, 2025, ISSN 0863-1042
Editor: Wiley
DOI: 10.1002/CTPP.202400135

Ultrahigh resolution x-ray Thomson scattering measurements at the European X-ray Free Electron Laser

Autores: Thomas Gawne, Zhandos A. Moldabekov, Oliver S. Humphries, Karen Appel, Carsten Baehtz, Victorien Bouffetier, Erik Brambrink, Attila Cangi, Sebastian Göde, Zuzana Konôpková, Mikako Makita, Mikhail Mishchenko, Motoaki Nakatsutsumi, Kushal Ramakrishna, Lisa Randolph, Sebastian Schwalbe, Jan Vorberger, Lennart Wollenweber, Ulf Zastrau, Tobias Dornheim, Thomas R. Preston
Publicado en: Physical Review B, Edición 109, 2024, ISSN 2469-9950
Editor: American Physical Society (APS)
DOI: 10.1103/PHYSREVB.109.L241112

Revisiting the Vashishta-Singwi dielectric scheme for the warm dense uniform electron fluid

Autores: Panagiotis Tolias, Federico Lucco Castello, Fotios Kalkavouras, Tobias Dornheim
Publicado en: Physical Review B, Edición 109, 2024, ISSN 2469-9950
Editor: American Physical Society (APS)
DOI: 10.1103/PHYSREVB.109.125134

Imposing correct jellium response is key to predict the density response by orbital-free DFT

Autores: Zhandos A. Moldabekov, Xuecheng Shao, Michele Pavanello, Jan Vorberger, Frank Graziani, Tobias Dornheim
Publicado en: Physical Review B, Edición 108, 2023, ISSN 2469-9950
Editor: American Physical Society (APS)
DOI: 10.1103/PHYSREVB.108.235168

<i>Ab initio</i> density response and local field factor of warm dense hydrogen

Autores: Tobias Dornheim, Sebastian Schwalbe, Panagiotis Tolias, Maximilian P. Böhme, Zhandos A. Moldabekov, Jan Vorberger
Publicado en: Matter and Radiation at Extremes, Edición 9, 2024, ISSN 2468-2047
Editor: AIP Publishing
DOI: 10.1063/5.0211407

Toward model-free temperature diagnostics of warm dense matter from multiple scattering angles

Autores: H. M. Bellenbaum, B. Bachmann, D. Kraus, Th. Gawne, M. P. Böhme, T. Döppner, L. B. Fletcher, M. J. MacDonald, Zh. A. Moldabekov, T. R. Preston, J. Vorberger, T. Dornheim
Publicado en: Applied Physics Letters, Edición 126, 2025, ISSN 0003-6951
Editor: AIP Publishing
DOI: 10.1063/5.0248230

Revealing non-equilibrium and relaxation in laser heated matter

Autores: Jan Vorberger, Thomas R. Preston, Nikita Medvedev, Maximilian P. Böhme, Zhandos A. Moldabekov, Dominik Kraus, Tobias Dornheim
Publicado en: Physics Letters A, Edición 499, 2024, ISSN 0375-9601
Editor: Elsevier BV
DOI: 10.1016/J.PHYSLETA.2024.129362

Virial coefficients of the uniform electron gas from path-integral Monte Carlo simulations

Autores: G. Röpke, T. Dornheim, J. Vorberger, D. Blaschke, B. Mahato
Publicado en: Physical Review E, Edición 109, 2024, ISSN 2470-0045
Editor: American Physical Society (APS)
DOI: 10.1103/PHYSREVE.109.025202

Toward first principles-based simulations of dense hydrogen

Autores: Michael Bonitz, Jan Vorberger, Mandy Bethkenhagen, Maximilian P. Böhme, David M. Ceperley, Alexey Filinov, Thomas Gawne, Frank Graziani, Gianluca Gregori, Paul Hamann, Stephanie B. Hansen, Markus Holzmann, S. X. Hu, Hanno Kählert, Valentin V. Karasiev, Uwe Kleinschmidt, Linda Kordts, Christopher Makait, Burkhard Militzer, Zhandos A. Moldabekov, Carlo Pierleoni, Martin Preising, Kushal Ramakrishna, Ronald Redmer, Sebastian Schwalbe, Pontus Svensson, Tobias Dornheim
Publicado en: Physics of Plasmas, Edición 31, 2024, ISSN 1070-664X
Editor: AIP Publishing
DOI: 10.1063/5.0219405

Bound-State Breaking and the Importance of Thermal Exchange–Correlation Effects in Warm Dense Hydrogen

Autores: Zhandos Moldabekov, Sebastian Schwalbe, Maximilian P. Böhme, Jan Vorberger, Xuecheng Shao, Michele Pavanello, Frank R. Graziani, Tobias Dornheim
Publicado en: Journal of Chemical Theory and Computation, Edición 20, 2023, ISSN 1549-9618
Editor: American Chemical Society (ACS)
DOI: 10.1021/ACS.JCTC.3C00934

Strong geometry dependence of the x-ray Thomson scattering spectrum in single crystal silicon

Autores: Thomas Gawne, Zhandos A Moldabekov, Oliver S Humphries, Karen Appel, Carsten Baehtz, Victorien Bouffetier, Erik Brambrink, Attila Cangi, Celine Crépisson, Sebastian Göde, Zuzana Konôpková, Mikako Makita, Mikhail Mishchenko, Motoaki Nakatsutsumi, Lisa Randolph, Sebastian Schwalbe, Jan Vorberger, Ulf Zastrau, Tobias Dornheim, Thomas R Preston
Publicado en: Electronic Structure, Edición 7, 2025, ISSN 2516-1075
Editor: IOP Publishing
DOI: 10.1088/2516-1075/ADC054

From density response to energy functionals and back: An ab initio perspective on matter under extreme conditions

Autores: Zhandos Moldabekov, Jan Vorberger, Tobias Dornheim
Publicado en: Progress in Particle and Nuclear Physics, Edición 140, 2025, ISSN 0146-6410
Editor: Elsevier BV
DOI: 10.1016/J.PPNP.2024.104144

Chemical potential of the warm dense electron gas from <i>ab initio</i> path integral Monte Carlo simulations

Autores: Tobias Dornheim, Michael Bonitz, Zhandos A. Moldabekov, Sebastian Schwalbe, Panagiotis Tolias, Jan Vorberger
Publicado en: Physical Review B, Edición 111, 2025, ISSN 2469-9950
Editor: American Physical Society (APS)
DOI: 10.1103/PHYSREVB.111.115149

X-ray Thomson scattering absolute intensity from the f-sum rule in the imaginary-time domain

Autores: T. Dornheim, T. Döppner, A. D. Baczewski, P. Tolias, M. P. Böhme, Zh. A. Moldabekov, Th. Gawne, D. Ranjan, D. A. Chapman, M. J. MacDonald, Th. R. Preston, D. Kraus, J. Vorberger
Publicado en: Scientific Reports, Edición 14, 2024, ISSN 2045-2322
Editor: Springer Science and Business Media LLC
DOI: 10.1038/S41598-024-64182-6

Excitation signatures of isochorically heated electrons in solids at finite wave number explored from first principles

Autores: Zhandos A. Moldabekov, Thomas D. Gawne, Sebastian Schwalbe, Thomas R. Preston, Jan Vorberger, Tobias Dornheim
Publicado en: Physical Review Research, Edición 6, 2024, ISSN 2643-1564
Editor: American Physical Society (APS)
DOI: 10.1103/PHYSREVRESEARCH.6.023219

Quantum delocalization, structural order, and density response of the strongly coupled electron liquid

Autores: Tobias Dornheim, Panagiotis Tolias, Jan Vorberger, Zhandos A. Moldabekov
Publicado en: Europhysics Letters, Edición 147, 2024, ISSN 0295-5075
Editor: IOP Publishing
DOI: 10.1209/0295-5075/AD5D88

Ensemble Generalization of the Perdew–Zunger Self-Interaction Correction: A Way Out of Multiple Minima and Symmetry Breaking

Autores: Sebastian Schwalbe, Wanja Timm Schulze, Kai Trepte, Susi Lehtola
Publicado en: Journal of Chemical Theory and Computation, Edición 20, 2024, ISSN 1549-9618
Editor: American Chemical Society (ACS)
DOI: 10.1021/ACS.JCTC.4C00694

Averaging over atom snapshots in linear-response TDDFT of disordered systems: A case study of warm dense hydrogen

Autores: Zhandos A. Moldabekov, Jan Vorberger, Mani Lokamani, Tobias Dornheim
Publicado en: The Journal of Chemical Physics, Edición 159, 2023, ISSN 0021-9606
Editor: AIP Publishing
DOI: 10.1063/5.0152126

Fermionic physics from<i>ab initio</i>path integral Monte Carlo simulations of fictitious identical particles

Autores: Tobias Dornheim, Panagiotis Tolias, Simon Groth, Zhandos A. Moldabekov, Jan Vorberger, Barak Hirshberg
Publicado en: The Journal of Chemical Physics, Edición 159, 2024, ISSN 0021-9606
Editor: AIP Publishing
DOI: 10.1063/5.0171930

Fourier–Matsubara series expansion for imaginary–time correlation functions

Autores: Panagiotis Tolias, Fotios Kalkavouras, Tobias Dornheim
Publicado en: The Journal of Chemical Physics, Edición 160, 2024, ISSN 0021-9606
Editor: AIP Publishing
DOI: 10.1063/5.0211814

Dynamic exchange correlation effects in the strongly coupled electron liquid

Autores: Tobias Dornheim, Panagiotis Tolias, Fotios Kalkavouras, Zhandos A. Moldabekov, Jan Vorberger
Publicado en: Physical Review B, Edición 110, 2024, ISSN 2469-9950
Editor: American Physical Society (APS)
DOI: 10.1103/PHYSREVB.110.075137

Direct free energy calculation from <i>ab initio</i> path integral Monte Carlo simulations of warm dense matter

Autores: Tobias Dornheim, Zhandos A. Moldabekov, Sebastian Schwalbe, Jan Vorberger
Publicado en: Physical Review B, Edición 111, 2025, ISSN 2469-9950
Editor: American Physical Society (APS)
DOI: 10.1103/PHYSREVB.111.L041114

Nonlocal vs local pseudopotentials affect kinetic energy kernels in orbital-free DFT

Autores: Zhandos A Moldabekov, Xuecheng Shao, Michele Pavanello, Jan Vorberger, Tobias Dornheim
Publicado en: Electronic Structure, Edición 7, 2025, ISSN 2516-1075
Editor: IOP Publishing
DOI: 10.1088/2516-1075/ADBF5A

<i>Ab Initio</i> Path Integral Monte Carlo Simulations of the Uniform Electron Gas on Large Length Scales

Autores: Tobias Dornheim, Sebastian Schwalbe, Zhandos A. Moldabekov, Jan Vorberger, Panagiotis Tolias
Publicado en: The Journal of Physical Chemistry Letters, Edición 15, 2024, ISSN 1948-7185
Editor: American Chemical Society (ACS)
DOI: 10.1021/ACS.JPCLETT.3C03193

<i>Ab initio</i>path integral Monte Carlo simulations of warm dense two-component systems without fixed nodes: Structural properties

Autores: Tobias Dornheim, Sebastian Schwalbe, Maximilian P. Böhme, Zhandos A. Moldabekov, Jan Vorberger, Panagiotis Tolias
Publicado en: The Journal of Chemical Physics, Edición 160, 2024, ISSN 0021-9606
Editor: AIP Publishing
DOI: 10.1063/5.0206787

Electronic density response of warm dense hydrogen on the nanoscale

Autores: Tobias Dornheim, Maximilian P. Böhme, Zhandos A. Moldabekov, Jan Vorberger
Publicado en: Physical Review E, Edición 108, 2023, ISSN 2470-0045
Editor: American Physical Society (APS)
DOI: 10.1103/PHYSREVE.108.035204