The 2025 Roadmap to Ultrafast Dynamics: Frontiers of Theoretical and Computational Modelling

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

arXiv · 2501.06752

The 2025 Roadmap to Ultrafast Dynamics: Frontiers of Theoretical and Computational Modelling

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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. 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.

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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. 2025-01-12. The 2025 Roadmap to Ultrafast Dynamics: Frontiers of Theoretical and Computational Modelling. https://arxiv.org/abs/2501.06752

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