Research overview
The Grand Challenges aim at increasing our understanding of molecules, liquids, and solids, at the level of electrons and atoms, and define two main research strategies. First, Structural Dynamics, which includes all theoretical and technological developments and scientific questions that are concerned with dynamic rearrangements of both the electronic charge distribution and the position of atomic constituents upon photo-excitation. Second, Charge, Energy, and Signal Transfer, which includes, for example, electron transfer reactions, but also signal transport within proteins.
Briefly, the Grand Challenges are:
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Briefly, the Grand Challenges are:
- First-principles molecular dynamics simulations of ultrafast processes,
- protein dynamics from the electronic system to the scaffold,
- properties of biological, interfacial, and bulk water as an important part of proteins in their natural environment,
- charge transfer mechanisms, such as attosecond electron dynamics or bimolecular electron transfer,
- controlling the dynamics of molecules in solution, at surfaces, and at interfaces and solids through tailored light pulses,
- valence order in strongly correlated electron systems.
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In 2017, the NCCR MUST researchers wrote 12 collaborative review articles for a special issue of Structural Dynamics. The collection of articles in this special issue is intended to summarize and review the research carried out within the NCCR MUST and also to give perspectives for future research directions.
Feurer, T. and U. Keller (2017). Preface to Swiss National Center of Competence in Research: Molecular Ultrafast Science and Technology. Struct. Dynam. 4: 061401. (10.1063/1.5018454) Feurer-2017.
Karandashev, K., Z.-H. Xu, M. Meuwly, J. Vaníček and J. O. Richardson (2017). Kinetic isotope effects and how to describe them. Structural Dynamics 4: 061501. (10.1063/1.4996339) Karandashev-2017.
Gallmann, L., I. Jordan, H. J. Wörner, L. Castiglioni, M. Hengsberger, J. Osterwalder, C. A. Arrell, M. Chergui, E. Liberatore, U. Röthlisberger and U. Keller (2017). Photoemission and photoionization time delays and rates. Struct. Dynam. 4: 061502. (10.1063/1.4997175) Gallmann-2017.
Teuscher, J., J. C. Brauer, A. Stepanov, A. Solano, A. Boziki, M. Chergui, J.-P. Wolf, U. Röthlisberger, N. Banerji and J.-E. Moser (2017). Charge separation and carrier dynamics in donor-acceptor heterojunction photovoltaic systems. Structural Dynamics 4: 061503. (10.1063/1.4996409) Teuscher-2017.
Carbone, F., M. Hengsberger, L. Castiglioni and J. Osterwalder (2017). Femtosecond manipulation of spins, charges, and ions in nanostructures, thin films, and surfaces. Struct. Dynam. 4: 061504. (10.1063/1.4995541) Carbone-2017.
Crassee, I., L. Gallmann, G. Gäumann, M. Matthews, H. Yanagisawa, T. Feurer, M. Hengsberger, U. Keller, J. Osterwalder, H. J. Wörner and J. P. Wolf (2017). Strong field transient manipulation of electronic states and bands. Struct. Dynam. 4: 061505. (10.1063/1.4996424) Crassee-2017.
Johnson, S. L., M. Savoini, P. Beaud, G. Ingold, U. Staub, F. Carbone, L. Castiglioni, M. Hengsberger and J. Osterwalder (2017). Watching ultrafast responses of structure and magnetism in condensed matter with momentum-resolved probes. Struct. Dynam. 4: 061506. (10.1063/1.4996176) Johnson-2017.
El Hage, K., S. Brickel, S. Hermelin, G. Gaulier, C. Schmidt, L. Bonacina, S. C. van Keulen, S. Bhattacharyya, M. Chergui, P. Hamm, U. Rothlisberger, J.-P. Wolf and M. Meuwly (2017). Implications of short time scale dynamics on long time processes. Struct. Dynam. 4: 061507. (10.1063/1.4996448) El-Hage-2017.
Wörner, H. J., C. A. Arrell, N. Banerji, A. Cannizzo, M. Chergui, A. K. Das, P. Hamm, U. Keller, P. M. Kraus, E. Liberatore, P. Lopez-Tarifa, M. Lucchini, M. Meuwly, C. Milne, J.-E. Moser, U. Röthlisberger, G. Smolentsev, J. Teuscher, J. A. van Bokhoven and O. Wenger (2017). Charge migration and charge transfer in molecular systems. Structural Dynamics 4: 061508. (10.1063/1.4996505) Worner-2017.
Antipov, S. V., S. Bhattacharyya, K. El Hage, Z.-H. Xu, M. Meuwly, U. Röthlisberger and J. Vaníček (2017). Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches. Struct. Dynam. 4: 061509. (10.1063/1.4996559) Antipov-2017.
Bircher, M. P., E. Liberatore, N. J. Browning, S. Brickel, C. Hofmann, A. Patoz, O. T. Unke, T. Zimmermann, M. Chergui, P. Hamm, U. Keller, M. Meuwly, H.-J. Wörner, J. Vaníček and U. Röthlisberger (2017). Nonadiabatic effects in electronic and nuclear dynamics. Struct. Dynam. 4: 061510. (10.1063/1.4996816) Bircher-2017.
Hamm, P., M. Meuwly, S. L. Johnson, P. Beaud and U. Staub (2017). Perspective: THz-driven nuclear dynamics from solids to molecules. Struct. Dynam. 4: 061601. (10.1063/1.4992050) Hamm-2017.
Abela, R., P. Beaud, J. A. van Bokhoven, M. Chergui, T. Feurer, J. Haase, G. Ingold, S. L. Johnson, G. Knopp, H. Lemke, C. J. Milne, B. Pedrini, P. Radi, G. Schertler, J. Standfuss, U. Staub and L. Patthey (2017). Perspective: Opportunities for ultrafast science at SwissFEL. Struct. Dynam. 4: 061602. (10.1063/1.4997222) Abela-2017.
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