Predicting the Extreme

Informazioni relative al progetto

PREXTREME

ID dell’accordo di sovvenzione: 101076233

DOI

10.3030/101076233

Data della firma CE 9 Dicembre 2022

Data di avvio 1 Marzo 2023

Data di completamento 29 Febbraio 2028

Finanziato da

• European Research Council (ERC)

Costo totale

€ 1 486 250,00

Contributo UE

€ 1 486 250,00

Coordinato da

HELMHOLTZ-ZENTRUM DRESDEN-ROSSENDORF EV
Germany

CORDIS fornisce collegamenti ai risultati finali pubblici e alle pubblicazioni dei progetti ORIZZONTE.

I link ai risultati e alle pubblicazioni dei progetti del 7° PQ, così come i link ad alcuni tipi di risultati specifici come dataset e software, sono recuperati dinamicamente da .OpenAIRE .

Risultati finali

Data Management Plan (1)

Data Management Plan

Creation and regular update of the DMP

Pubblicazioni

Peer reviewed articles (42)

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

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

Journal of Chemical Theory and Computation

Autori: Tobias Dornheim; Zhandos Moldabekov; Sebastian Schwalbe; Panagiotis Tolias; Jan Vorberger
Pubblicato in: Journal of Chemical Theory and Computation, 2025, ISSN 1549-9618
Editore: American Chemical Society
DOI: 10.1021/ACS.JCTC.5C00301

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

Autori: 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
Pubblicato in: Journal of Applied Physics, Numero 136, 2024, ISSN 0021-8979
Editore: AIP Publishing
DOI: 10.1063/5.0222072

Estimating ionization states and continuum lowering from <i>ab initio</i> path integral Monte Carlo simulations for warm dense hydrogen

Autori: Hannah M. Bellenbaum; Maximilian P. Böhme; Michael Bonitz; Tilo Döppner; Luke B. Fletcher; Thomas Gawne; Dominik Kraus; Zhandos A. Moldabekov; Sebastian Schwalbe; Jan Vorberger; Tobias Dornheim
Pubblicato in: Physical Review Research, 2025, ISSN 2643-1564
Editore: APS
DOI: 10.48550/ARXIV.2503.14014

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

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

Physics of Plasmas

Autori: Panagiotis Tolias; Jan Vorberger; Tobias Dornheim
Pubblicato in: Physics of Plasmas, 2025, ISSN 1070-664X
Editore: American Institute of Physics
DOI: 10.48550/ARXIV.2506.10410

Application of a spherically averaged pair potential in <i>ab initio</i> path integral Monte Carlo simulations of a warm dense electron gas

Autori: Tobias Dornheim, Thomas M. Chuna, Hannah M. Bellenbaum, Zhandos A. Moldabekov, Panagiotis Tolias, Jan Vorberger
Pubblicato in: Physical Review E, Numero 112, 2025, ISSN 2470-0045
Editore: American Physical Society (APS)
DOI: 10.1103/LJ9C-BH48

Nature Communications

Autori: Tobias Dornheim; Tilo Döppner; Panagiotis Tolias; Maximilian P. Böhme; Luke B. Fletcher; Thomas Gawne; Frank R. Graziani; Dominik Kraus; Michael J. MacDonald; Zhandos A. Moldabekov; Sebastian Schwalbe; Dirk O. Gericke; Jan Vorberger
Pubblicato in: Nature Communications, 2025, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/S41467-025-60278-3

Physical insights from imaginary-time density–density correlation functions

Autori: Tobias Dornheim; Zhandos A. Moldabekov; Panagiotis Tolias; Maximilian Böhme; Jan Vorberger
Pubblicato in: Matter and Radiation at Extremes, 2023, ISSN 2468-2047
Editore: AIP
DOI: 10.1063/5.0149638

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

Autori: Panagiotis Tolias, Tobias Dornheim, Jan Vorberger
Pubblicato in: Contributions to Plasma Physics, 2025, ISSN 0863-1042
Editore: Wiley
DOI: 10.1002/CTPP.202400135

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

Autori: 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
Pubblicato in: Physical Review B, Numero 109, 2024, ISSN 2469-9950
Editore: American Physical Society (APS)
DOI: 10.1103/PHYSREVB.109.L241112

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

Autori: Panagiotis Tolias, Federico Lucco Castello, Fotios Kalkavouras, Tobias Dornheim
Pubblicato in: Physical Review B, Numero 109, 2024, ISSN 2469-9950
Editore: 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

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

Physics of Plasmas

Autori: T. Dornheim; H. M. Bellenbaum; M. Bethkenhagen; S. B. Hansen; M. P. Böhme; T. Döppner; L. B. Fletcher; T. Gawne; D. O. Gericke; S. Hamel; D. Kraus; M. J. MacDonald; Zh. A. Moldabekov; T. R. Preston; R. Redmer; M. Schörner; S. Schwalbe; P. Tolias; J. Vorberger
Pubblicato in: Physics of Plasmas, 2025, ISSN 1070-664X
Editore: American Institute of Physics
DOI: 10.48550/ARXIV.2409.08591

Estimates of the dynamic structure factor for the finite temperature electron liquid via analytic continuation of path integral Monte Carlo data

Autori: Thomas Chuna, Nicholas Barnfield, Jan Vorberger, Michael P. Friedlander, Tim Hoheisel, Tobias Dornheim
Pubblicato in: Physical Review B, Numero 112, 2025, ISSN 2469-9950
Editore: American Physical Society (APS)
DOI: 10.1103/4D4B-KGTK

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

Autori: Tobias Dornheim, Sebastian Schwalbe, Panagiotis Tolias, Maximilian P. Böhme, Zhandos A. Moldabekov, Jan Vorberger
Pubblicato in: Matter and Radiation at Extremes, Numero 9, 2024, ISSN 2468-2047
Editore: AIP Publishing
DOI: 10.1063/5.0211407

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

Autori: 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
Pubblicato in: Applied Physics Letters, Numero 126, 2025, ISSN 0003-6951
Editore: AIP Publishing
DOI: 10.1063/5.0248230

Revealing non-equilibrium and relaxation in laser heated matter

Autori: Jan Vorberger, Thomas R. Preston, Nikita Medvedev, Maximilian P. Böhme, Zhandos A. Moldabekov, Dominik Kraus, Tobias Dornheim
Pubblicato in: Physics Letters A, Numero 499, 2024, ISSN 0375-9601
Editore: Elsevier BV
DOI: 10.1016/J.PHYSLETA.2024.129362

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

Autori: G. Röpke, T. Dornheim, J. Vorberger, D. Blaschke, B. Mahato
Pubblicato in: Physical Review E, Numero 109, 2024, ISSN 2470-0045
Editore: American Physical Society (APS)
DOI: 10.1103/PHYSREVE.109.025202

Toward first principles-based simulations of dense hydrogen

Autori: 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
Pubblicato in: Physics of Plasmas, Numero 31, 2024, ISSN 1070-664X
Editore: AIP Publishing
DOI: 10.1063/5.0219405

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

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

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

Autori: 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
Pubblicato in: Electronic Structure, Numero 7, 2025, ISSN 2516-1075
Editore: IOP Publishing
DOI: 10.1088/2516-1075/ADC054

Second roton feature in the strongly coupled electron liquid

Autori: Thomas M. Chuna, Jan Vorberger, Panagiotis Tolias, Alexander Benedix Robles, Michael Hecht, Phil-Alexander Hofmann, Zhandos A. Moldabekov, Tobias Dornheim
Pubblicato in: The Journal of Chemical Physics, Numero 163, 2025, ISSN 0021-9606
Editore: AIP Publishing
DOI: 10.1063/5.0281085

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

Autori: Zhandos Moldabekov, Jan Vorberger, Tobias Dornheim
Pubblicato in: Progress in Particle and Nuclear Physics, Numero 140, 2025, ISSN 0146-6410
Editore: 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

Autori: Tobias Dornheim, Michael Bonitz, Zhandos A. Moldabekov, Sebastian Schwalbe, Panagiotis Tolias, Jan Vorberger
Pubblicato in: Physical Review B, Numero 111, 2025, ISSN 2469-9950
Editore: 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

Autori: 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
Pubblicato in: Scientific Reports, Numero 14, 2024, ISSN 2045-2322
Editore: Springer Science and Business Media LLC
DOI: 10.1038/S41598-024-64182-6

Modeling of warm dense hydrogen via explicit real-time electron dynamics: Electron transport properties

Autori: Pontus Svensson; Patrick Hollebon; Daniel Plummer; Sam M. Vinko; Gianluca Gregori
Pubblicato in: Physical Review E, 2025, ISSN 2470-0053
Editore: APS
DOI: 10.48550/ARXIV.2410.08664

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

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

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

Autori: Tobias Dornheim, Panagiotis Tolias, Jan Vorberger, Zhandos A. Moldabekov
Pubblicato in: Europhysics Letters, Numero 147, 2024, ISSN 0295-5075
Editore: 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

Autori: Sebastian Schwalbe, Wanja Timm Schulze, Kai Trepte, Susi Lehtola
Pubblicato in: Journal of Chemical Theory and Computation, Numero 20, 2024, ISSN 1549-9618
Editore: American Chemical Society (ACS)
DOI: 10.1021/ACS.JCTC.4C00694

Reweighting estimator for <i>ab initio</i> path integral Monte Carlo simulations of fictitious identical particles

Autori: Tobias Dornheim, Pontus Svensson, Paul Hamann, Sebastian Schwalbe, Zhandos A. Moldabekov, Panagiotis Tolias, Jan Vorberger
Pubblicato in: The Journal of Chemical Physics, Numero 163, 2025, ISSN 0021-9606
Editore: AIP Publishing
DOI: 10.1063/5.0297058

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

Autori: Zhandos A. Moldabekov, Jan Vorberger, Mani Lokamani, Tobias Dornheim
Pubblicato in: The Journal of Chemical Physics, Numero 159, 2023, ISSN 0021-9606
Editore: AIP Publishing
DOI: 10.1063/5.0152126

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

Autori: Tobias Dornheim, Panagiotis Tolias, Simon Groth, Zhandos A. Moldabekov, Jan Vorberger, Barak Hirshberg
Pubblicato in: The Journal of Chemical Physics, Numero 159, 2024, ISSN 0021-9606
Editore: AIP Publishing
DOI: 10.1063/5.0171930

Fourier–Matsubara series expansion for imaginary–time correlation functions

Autori: Panagiotis Tolias, Fotios Kalkavouras, Tobias Dornheim
Pubblicato in: The Journal of Chemical Physics, Numero 160, 2024, ISSN 0021-9606
Editore: AIP Publishing
DOI: 10.1063/5.0211814

Dynamic exchange correlation effects in the strongly coupled electron liquid

Autori: Tobias Dornheim, Panagiotis Tolias, Fotios Kalkavouras, Zhandos A. Moldabekov, Jan Vorberger
Pubblicato in: Physical Review B, Numero 110, 2024, ISSN 2469-9950
Editore: 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

Autori: Tobias Dornheim, Zhandos A. Moldabekov, Sebastian Schwalbe, Jan Vorberger
Pubblicato in: Physical Review B, Numero 111, 2025, ISSN 2469-9950
Editore: American Physical Society (APS)
DOI: 10.1103/PHYSREVB.111.L041114

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

Autori: Zhandos A Moldabekov, Xuecheng Shao, Michele Pavanello, Jan Vorberger, Tobias Dornheim
Pubblicato in: Electronic Structure, Numero 7, 2025, ISSN 2516-1075
Editore: IOP Publishing
DOI: 10.1088/2516-1075/ADBF5A

Applying the Liouville–Lanczos method of time-dependent density-functional theory to warm dense matter

Autori: Zhandos A. Moldabekov; Sebastian Schwalbe; Thomas Gawne; Thomas R. Preston; Jan Vorberger; Tobias Dornheim
Pubblicato in: Matter and Radiation at Extremes, 2025, ISSN 2468-2047
Editore: AIP
DOI: 10.48550/ARXIV.2502.04921

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

Autori: Tobias Dornheim, Sebastian Schwalbe, Zhandos A. Moldabekov, Jan Vorberger, Panagiotis Tolias
Pubblicato in: The Journal of Physical Chemistry Letters, Numero 15, 2024, ISSN 1948-7185
Editore: American Chemical Society (ACS)
DOI: 10.1021/ACS.JPCLETT.3C03193

Green’s Function Perspective on the Nonlinear Density Response of Quantum Many-Body Systems

Autori: Jan Vorberger; Tobias Dornheim; Maximilian P. Böhme; Zhandos A. Moldabekov; Panagiotis Tolias
Pubblicato in: Journal of Statistical Physics, 2025, ISSN 1572-9613
Editore: Springer
DOI: 10.48550/ARXIV.2410.01845

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

Autori: Tobias Dornheim, Sebastian Schwalbe, Maximilian P. Böhme, Zhandos A. Moldabekov, Jan Vorberger, Panagiotis Tolias
Pubblicato in: The Journal of Chemical Physics, Numero 160, 2024, ISSN 0021-9606
Editore: AIP Publishing
DOI: 10.1063/5.0206787

Electronic density response of warm dense hydrogen on the nanoscale

Autori: Tobias Dornheim, Maximilian P. Böhme, Zhandos A. Moldabekov, Jan Vorberger
Pubblicato in: Physical Review E, Numero 108, 2023, ISSN 2470-0045
Editore: American Physical Society (APS)
DOI: 10.1103/PHYSREVE.108.035204