The 2025 roadmap to ultrafast dynamics: frontiers of theoretical and computational modeling

Fabio Caruso; Michael A. Sentef; Claudio Attaccalite; Michael Bonitz; Claudia Draxl; Umberto De Giovannini; Martin Eckstein; Ralph Ernstorfer; Michael Fechner; Myrta Grüning; Hannes Hübener; Jan Philip Joost; Dominik M. Juraschek; Christoph Karrasch; Dante Marvin Kennes; Simone Latini; I. Te Lu; Ofer Neufeld; Enrico Perfetto; Laurenz Rettig; Ronaldo Rodrigues Pela; Angel Rubio; Joseph F. Rudzinski; Michael Ruggenthaler; Davide Sangalli; Michael Schüler; Samuel Shallcross; Sangeeta Sharma; Gianluca Stefanucci; Philipp Werner

doi:10.1088/2515-7639/ae1165

The 2025 roadmap to ultrafast dynamics: frontiers of theoretical and computational modeling

Fabio Caruso^*
, Michael A. Sentef
, Claudio Attaccalite
, Michael Bonitz
, Claudia Draxl
, Umberto De Giovannini
, Martin Eckstein
, Ralph Ernstorfer
, Michael Fechner
, Myrta Grüning
, Hannes Hübener
, Jan Philip Joost
, Dominik M. Juraschek
, Christoph Karrasch
, Dante Marvin Kennes
, Simone Latini
, I. Te Lu
, Ofer Neufeld
, Enrico Perfetto
, Laurenz Rettig

Ronaldo Rodrigues Pela, Angel Rubio, Joseph F. Rudzinski, Michael Ruggenthaler, Davide Sangalli, Michael Schüler, Samuel Shallcross, Sangeeta Sharma, Gianluca Stefanucci, Philipp Werner

^*Corresponding author for this work

Kiel University
University of Bremen
CNRS
Humboldt University of Berlin
University of Palermo
University of Hamburg
Fritz Haber Institute of the Max Planck Society
Max Planck Institute for the Structure and Dynamics of Matter
Queen's University Belfast
Eindhoven University of Technology
Technical University of Braunschweig
RWTH Aachen University
Technion-Israel Institute of Technology
University of Rome Tor Vergata
Zuse Institute Berlin
Simons Foundation
National Research Council of Italy
University of Fribourg
Max-Born-Institute for Nonlinear Optics and Short Pulse Spectroscopy
Free University of Berlin

Research output: Contribution to journal › Journal article › Research › peer-review

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Abstract

The exploration of ultrafast phenomena is a frontier of condensed matter research, where the interplay of theory, computation, and experiment is unveiling new opportunities for understanding and engineering quantum materials. With the advent of advanced experimental techniques and computational tools, it has become possible to probe and manipulate nonequilibrium processes at unprecedented temporal and spatial resolutions, providing insights into the dynamical behavior of matter under extreme conditions. These capabilities have the potential to revolutionize fields ranging from optoelectronics and quantum information to catalysis and energy storage. This roadmap captures the collective progress and vision of leading researchers, addressing challenges and opportunities across key areas of ultrafast science and condensed matter. Contributions in this roadmap span the development of ab initio methods for time-resolved spectroscopy, the dynamics of driven correlated systems, the engineering of materials in optical cavities, and the adoption of FAIR principles for data sharing and analysis. Together, these efforts highlight the interdisciplinary nature of ultrafast research and its reliance on cutting-edge methodologies, including quantum electrodynamical density-functional theory, correlated electronic structure methods, nonequilibrium Green’s function approaches, quantum and ab initio simulations.

Original language	English
Article number	012501
Journal	JPhys Materials
Volume	9
Issue number	1
Number of pages	57
ISSN	2515-7639
DOIs	https://doi.org/10.1088/2515-7639/ae1165
Publication status	Published - 2026

Keywords

Ab-initio calculations
Diagrammatic methods
FAIR data infrastructure
Floquet engineering
Theoretical spectroscopy
Ultrafast dynamics

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Caruso, F., Sentef, M. A., Attaccalite, C., Bonitz, M., Draxl, C., De Giovannini, U., Eckstein, M., Ernstorfer, R., Fechner, M., Grüning, M., Hübener, H., Joost, J. P., Juraschek, D. M., Karrasch, C., Kennes, D. M., Latini, S., Lu, I. T., Neufeld, O., Perfetto, E., ... Werner, P. (2026). The 2025 roadmap to ultrafast dynamics: frontiers of theoretical and computational modeling. JPhys Materials, 9(1), Article 012501. https://doi.org/10.1088/2515-7639/ae1165

@article{da3474ff0fbf4cb1a9f591c37057133d,

title = "The 2025 roadmap to ultrafast dynamics: frontiers of theoretical and computational modeling",

abstract = "The exploration of ultrafast phenomena is a frontier of condensed matter research, where the interplay of theory, computation, and experiment is unveiling new opportunities for understanding and engineering quantum materials. With the advent of advanced experimental techniques and computational tools, it has become possible to probe and manipulate nonequilibrium processes at unprecedented temporal and spatial resolutions, providing insights into the dynamical behavior of matter under extreme conditions. These capabilities have the potential to revolutionize fields ranging from optoelectronics and quantum information to catalysis and energy storage. This roadmap captures the collective progress and vision of leading researchers, addressing challenges and opportunities across key areas of ultrafast science and condensed matter. Contributions in this roadmap span the development of ab initio methods for time-resolved spectroscopy, the dynamics of driven correlated systems, the engineering of materials in optical cavities, and the adoption of FAIR principles for data sharing and analysis. Together, these efforts highlight the interdisciplinary nature of ultrafast research and its reliance on cutting-edge methodologies, including quantum electrodynamical density-functional theory, correlated electronic structure methods, nonequilibrium Green{\textquoteright}s function approaches, quantum and ab initio simulations.",

keywords = "Ab-initio calculations, Diagrammatic methods, FAIR data infrastructure, Floquet engineering, Theoretical spectroscopy, Ultrafast dynamics",

author = "Fabio Caruso and Sentef, \{Michael A.\} and Claudio Attaccalite and Michael Bonitz and Claudia Draxl and \{De Giovannini\}, Umberto and Martin Eckstein and Ralph Ernstorfer and Michael Fechner and Myrta Gr{\"u}ning and Hannes H{\"u}bener and Joost, \{Jan Philip\} and Juraschek, \{Dominik M.\} and Christoph Karrasch and Kennes, \{Dante Marvin\} and Simone Latini and Lu, \{I. Te\} and Ofer Neufeld and Enrico Perfetto and Laurenz Rettig and Pela, \{Ronaldo Rodrigues\} and Angel Rubio and Rudzinski, \{Joseph F.\} and Michael Ruggenthaler and Davide Sangalli and Michael Sch{\"u}ler and Samuel Shallcross and Sangeeta Sharma and Gianluca Stefanucci and Philipp Werner",

note = "Publisher Copyright: {\textcopyright} 2025 The Author(s). Published by IOP Publishing Ltd.",

year = "2026",

doi = "10.1088/2515-7639/ae1165",

language = "English",

volume = "9",

journal = "JPhys Materials",

issn = "2515-7639",

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Caruso, F, Sentef, MA, Attaccalite, C, Bonitz, M, Draxl, C, De Giovannini, U, Eckstein, M, Ernstorfer, R, Fechner, M, Grüning, M, Hübener, H, Joost, JP, Juraschek, DM, Karrasch, C, Kennes, DM, Latini, S, Lu, IT, Neufeld, O, Perfetto, E, Rettig, L, Pela, RR, Rubio, A, Rudzinski, JF, Ruggenthaler, M, Sangalli, D, Schüler, M, Shallcross, S, Sharma, S, Stefanucci, G & Werner, P 2026, 'The 2025 roadmap to ultrafast dynamics: frontiers of theoretical and computational modeling', JPhys Materials, vol. 9, no. 1, 012501. https://doi.org/10.1088/2515-7639/ae1165

TY - JOUR

T1 - The 2025 roadmap to ultrafast dynamics: frontiers of theoretical and computational modeling

AU - Caruso, Fabio

AU - Sentef, Michael A.

AU - Attaccalite, Claudio

AU - Bonitz, Michael

AU - Draxl, Claudia

AU - De Giovannini, Umberto

AU - Eckstein, Martin

AU - Ernstorfer, Ralph

AU - Fechner, Michael

AU - Grüning, Myrta

AU - Hübener, Hannes

AU - Joost, Jan Philip

AU - Juraschek, Dominik M.

AU - Karrasch, Christoph

AU - Kennes, Dante Marvin

AU - Latini, Simone

AU - Lu, I. Te

AU - Neufeld, Ofer

AU - Perfetto, Enrico

AU - Rettig, Laurenz

AU - Pela, Ronaldo Rodrigues

AU - Rubio, Angel

AU - Rudzinski, Joseph F.

AU - Ruggenthaler, Michael

AU - Sangalli, Davide

AU - Schüler, Michael

AU - Shallcross, Samuel

AU - Sharma, Sangeeta

AU - Stefanucci, Gianluca

AU - Werner, Philipp

PY - 2026

Y1 - 2026

N2 - The exploration of ultrafast phenomena is a frontier of condensed matter research, where the interplay of theory, computation, and experiment is unveiling new opportunities for understanding and engineering quantum materials. With the advent of advanced experimental techniques and computational tools, it has become possible to probe and manipulate nonequilibrium processes at unprecedented temporal and spatial resolutions, providing insights into the dynamical behavior of matter under extreme conditions. These capabilities have the potential to revolutionize fields ranging from optoelectronics and quantum information to catalysis and energy storage. This roadmap captures the collective progress and vision of leading researchers, addressing challenges and opportunities across key areas of ultrafast science and condensed matter. Contributions in this roadmap span the development of ab initio methods for time-resolved spectroscopy, the dynamics of driven correlated systems, the engineering of materials in optical cavities, and the adoption of FAIR principles for data sharing and analysis. Together, these efforts highlight the interdisciplinary nature of ultrafast research and its reliance on cutting-edge methodologies, including quantum electrodynamical density-functional theory, correlated electronic structure methods, nonequilibrium Green’s function approaches, quantum and ab initio simulations.

AB - The exploration of ultrafast phenomena is a frontier of condensed matter research, where the interplay of theory, computation, and experiment is unveiling new opportunities for understanding and engineering quantum materials. With the advent of advanced experimental techniques and computational tools, it has become possible to probe and manipulate nonequilibrium processes at unprecedented temporal and spatial resolutions, providing insights into the dynamical behavior of matter under extreme conditions. These capabilities have the potential to revolutionize fields ranging from optoelectronics and quantum information to catalysis and energy storage. This roadmap captures the collective progress and vision of leading researchers, addressing challenges and opportunities across key areas of ultrafast science and condensed matter. Contributions in this roadmap span the development of ab initio methods for time-resolved spectroscopy, the dynamics of driven correlated systems, the engineering of materials in optical cavities, and the adoption of FAIR principles for data sharing and analysis. Together, these efforts highlight the interdisciplinary nature of ultrafast research and its reliance on cutting-edge methodologies, including quantum electrodynamical density-functional theory, correlated electronic structure methods, nonequilibrium Green’s function approaches, quantum and ab initio simulations.

KW - Ab-initio calculations

KW - Diagrammatic methods

KW - FAIR data infrastructure

KW - Floquet engineering

KW - Theoretical spectroscopy

KW - Ultrafast dynamics

U2 - 10.1088/2515-7639/ae1165

DO - 10.1088/2515-7639/ae1165

M3 - Journal article

AN - SCOPUS:105030324393

SN - 2515-7639

VL - 9

JO - JPhys Materials

JF - JPhys Materials

IS - 1

M1 - 012501

ER -

The 2025 roadmap to ultrafast dynamics: frontiers of theoretical and computational modeling

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Keywords

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