Predicting the Extreme

Project Information

PREXTREME

Grant agreement ID: 101076233

DOI 10.3030/101076233

EC signature date 9 December 2022

Start date 1 March 2023

End date 29 February 2028

Funded under

• European Research Council (ERC)

Total cost € 1 486 250,00

EU contribution € 1 486 250,00

Coordinated by

HELMHOLTZ-ZENTRUM DRESDEN-ROSSENDORF EV
Germany

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Deliverables

Data Management Plan (1)

Data Management Plan

Creation and regular update of the DMP

Publications

Peer reviewed articles (30)

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

Author(s): Pontus Svensson, Yusuf Aziz, Tobias Dornheim, Sam Azadi, Patrick Hollebon, Amy Skelt, Sam M. Vinko, Gianluca Gregori
Published in: Physical Review E, Issue 110, 2024, ISSN 2470-0045
Publisher: American Physical Society (APS)
DOI: 10.1103/PHYSREVE.110.055205

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

Author(s): 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
Published in: Journal of Applied Physics, Issue 136, 2024, ISSN 0021-8979
Publisher: AIP Publishing
DOI: 10.1063/5.0222072

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

Author(s): Zhandos Moldabekov, Thomas D. Gawne, Sebastian Schwalbe, Thomas R. Preston, Jan Vorberger, Tobias Dornheim
Published in: ACS Omega, Issue 9, 2024, ISSN 2470-1343
Publisher: American Chemical Society (ACS)
DOI: 10.1021/ACSOMEGA.4C02920

Physical insights from imaginary-time density–density correlation functions

Author(s): Tobias Dornheim; Zhandos A. Moldabekov; Panagiotis Tolias; Maximilian Böhme; Jan Vorberger
Published in: Matter and Radiation at Extremes, 2023, ISSN 2468-2047
Publisher: AIP
DOI: 10.1063/5.0149638

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

Author(s): Panagiotis Tolias, Tobias Dornheim, Jan Vorberger
Published in: Contributions to Plasma Physics, 2025, ISSN 0863-1042
Publisher: Wiley
DOI: 10.1002/CTPP.202400135

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

Author(s): 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
Published in: Physical Review B, Issue 109, 2024, ISSN 2469-9950
Publisher: American Physical Society (APS)
DOI: 10.1103/PHYSREVB.109.L241112

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

Author(s): Panagiotis Tolias, Federico Lucco Castello, Fotios Kalkavouras, Tobias Dornheim
Published in: Physical Review B, Issue 109, 2024, ISSN 2469-9950
Publisher: 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

Author(s): Zhandos A. Moldabekov, Xuecheng Shao, Michele Pavanello, Jan Vorberger, Frank Graziani, Tobias Dornheim
Published in: Physical Review B, Issue 108, 2023, ISSN 2469-9950
Publisher: American Physical Society (APS)
DOI: 10.1103/PHYSREVB.108.235168

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

Author(s): Tobias Dornheim, Sebastian Schwalbe, Panagiotis Tolias, Maximilian P. Böhme, Zhandos A. Moldabekov, Jan Vorberger
Published in: Matter and Radiation at Extremes, Issue 9, 2024, ISSN 2468-2047
Publisher: AIP Publishing
DOI: 10.1063/5.0211407

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

Author(s): 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
Published in: Applied Physics Letters, Issue 126, 2025, ISSN 0003-6951
Publisher: AIP Publishing
DOI: 10.1063/5.0248230

Revealing non-equilibrium and relaxation in laser heated matter

Author(s): Jan Vorberger, Thomas R. Preston, Nikita Medvedev, Maximilian P. Böhme, Zhandos A. Moldabekov, Dominik Kraus, Tobias Dornheim
Published in: Physics Letters A, Issue 499, 2024, ISSN 0375-9601
Publisher: Elsevier BV
DOI: 10.1016/J.PHYSLETA.2024.129362

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

Author(s): G. Röpke, T. Dornheim, J. Vorberger, D. Blaschke, B. Mahato
Published in: Physical Review E, Issue 109, 2024, ISSN 2470-0045
Publisher: American Physical Society (APS)
DOI: 10.1103/PHYSREVE.109.025202

Toward first principles-based simulations of dense hydrogen

Author(s): 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
Published in: Physics of Plasmas, Issue 31, 2024, ISSN 1070-664X
Publisher: AIP Publishing
DOI: 10.1063/5.0219405

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

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

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

Author(s): 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
Published in: Electronic Structure, Issue 7, 2025, ISSN 2516-1075
Publisher: 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

Author(s): Zhandos Moldabekov, Jan Vorberger, Tobias Dornheim
Published in: Progress in Particle and Nuclear Physics, Issue 140, 2025, ISSN 0146-6410
Publisher: 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

Author(s): Tobias Dornheim, Michael Bonitz, Zhandos A. Moldabekov, Sebastian Schwalbe, Panagiotis Tolias, Jan Vorberger
Published in: Physical Review B, Issue 111, 2025, ISSN 2469-9950
Publisher: 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

Author(s): 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
Published in: Scientific Reports, Issue 14, 2024, ISSN 2045-2322
Publisher: 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

Author(s): Zhandos A. Moldabekov, Thomas D. Gawne, Sebastian Schwalbe, Thomas R. Preston, Jan Vorberger, Tobias Dornheim
Published in: Physical Review Research, Issue 6, 2024, ISSN 2643-1564
Publisher: American Physical Society (APS)
DOI: 10.1103/PHYSREVRESEARCH.6.023219

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

Author(s): Tobias Dornheim, Panagiotis Tolias, Jan Vorberger, Zhandos A. Moldabekov
Published in: Europhysics Letters, Issue 147, 2024, ISSN 0295-5075
Publisher: 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

Author(s): Sebastian Schwalbe, Wanja Timm Schulze, Kai Trepte, Susi Lehtola
Published in: Journal of Chemical Theory and Computation, Issue 20, 2024, ISSN 1549-9618
Publisher: 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

Author(s): Zhandos A. Moldabekov, Jan Vorberger, Mani Lokamani, Tobias Dornheim
Published in: The Journal of Chemical Physics, Issue 159, 2023, ISSN 0021-9606
Publisher: AIP Publishing
DOI: 10.1063/5.0152126

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

Author(s): Tobias Dornheim, Panagiotis Tolias, Simon Groth, Zhandos A. Moldabekov, Jan Vorberger, Barak Hirshberg
Published in: The Journal of Chemical Physics, Issue 159, 2024, ISSN 0021-9606
Publisher: AIP Publishing
DOI: 10.1063/5.0171930

Fourier–Matsubara series expansion for imaginary–time correlation functions

Author(s): Panagiotis Tolias, Fotios Kalkavouras, Tobias Dornheim
Published in: The Journal of Chemical Physics, Issue 160, 2024, ISSN 0021-9606
Publisher: AIP Publishing
DOI: 10.1063/5.0211814

Dynamic exchange correlation effects in the strongly coupled electron liquid

Author(s): Tobias Dornheim, Panagiotis Tolias, Fotios Kalkavouras, Zhandos A. Moldabekov, Jan Vorberger
Published in: Physical Review B, Issue 110, 2024, ISSN 2469-9950
Publisher: 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

Author(s): Tobias Dornheim, Zhandos A. Moldabekov, Sebastian Schwalbe, Jan Vorberger
Published in: Physical Review B, Issue 111, 2025, ISSN 2469-9950
Publisher: American Physical Society (APS)
DOI: 10.1103/PHYSREVB.111.L041114

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

Author(s): Zhandos A Moldabekov, Xuecheng Shao, Michele Pavanello, Jan Vorberger, Tobias Dornheim
Published in: Electronic Structure, Issue 7, 2025, ISSN 2516-1075
Publisher: 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

Author(s): Tobias Dornheim, Sebastian Schwalbe, Zhandos A. Moldabekov, Jan Vorberger, Panagiotis Tolias
Published in: The Journal of Physical Chemistry Letters, Issue 15, 2024, ISSN 1948-7185
Publisher: 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

Author(s): Tobias Dornheim, Sebastian Schwalbe, Maximilian P. Böhme, Zhandos A. Moldabekov, Jan Vorberger, Panagiotis Tolias
Published in: The Journal of Chemical Physics, Issue 160, 2024, ISSN 0021-9606
Publisher: AIP Publishing
DOI: 10.1063/5.0206787

Electronic density response of warm dense hydrogen on the nanoscale

Author(s): Tobias Dornheim, Maximilian P. Böhme, Zhandos A. Moldabekov, Jan Vorberger
Published in: Physical Review E, Issue 108, 2023, ISSN 2470-0045
Publisher: American Physical Society (APS)
DOI: 10.1103/PHYSREVE.108.035204