Coherent multidimensional spectroscopy in the gas phase

Recent work applying multidimentional coherent electronic spectroscopy at dilute samples in the gas phase is reviewed. The development of refined phase-cycling approaches with improved sensitivity has opened-up new opportunities to probe even dilute gas-phase samples. In this context, first results of 2-dimensional spectroscopy performed at doped helium droplets reveal the femtosecond dynamics upon electronic excitation of cold, weakly-bound molecules, and even the induced dynamics from the interaction with the helium environment. Such experiments, offering well-defined conditions at low temperatures, are potentially enabling the isolation of fundamental processes in the excitation and charge transfer dynamics of molecular structures which so far have been masked in complex bulk environments.Comment: Invited Review Articl

The CODATA-RDA Data Steward School

Given the expected increase in demand for Data Stewards and Data Stewardship skills it is clear that there is a need to develop training, education and CPD (continuous professional development) in this area. In this paper a brief introduction is provided to the origin of definitions of Data Stewardship. Also it notes the present tendency towards equivalence between Data Stewardship skills and FAIR principles. It then focuses on one specific training event – the pilot Data Stewardship strand of the CODATA-RDA Research Data Science schools that by the time of the IDCC meeting will have been held in Trieste in August 2019. The paper will discuss the overall curriculum for the pilot school, how it matches with the FAIR4S framework, and plans for getting feedback from the students. Finally, the paper discuss future plans for the school, in particular how to deepen the integration between the Data Stewardship strand with the Early Career Researcher strand. [This paper is a conference pre-print presented at IDCC 2020 after lightweight peer review.

Recommendations for services in a FAIR data ecosystem

This report highlights common challenges and priorities, and proposes a set of initial recommendations on how existing data infrastructures can evolve and collaborate to provide services that support the implementation of the FAIR data principles, in particular in the context of building the European Open Science Cloud (EOSC). The report is an output of three workshops designed to explore, discuss and formulate such recommendations and is aimed at stakeholders in the scholarly world and particularly the EOSC Governance

Recommendations for services in a FAIR data ecosystem

The development and growing adoption of the FAIR data principles and associated standards as a part of research policies and practices place novel demands on research data services. This article highlights common challenges and priorities and proposes a set of recommendations on how data infrastructures can evolve and collaborate to provide services that support the implementation of the FAIR data principles, in particular in the context of building the European Open Science Cloud (EOSC). The recommendations cover a broad area of topics, including certification, infrastructure components, stewardship, costs, rewards, collaboration, training, support, and data management. These recommendations were prioritized according to their perceived urgency by different stakeholder groups and associated with actions as well as suggested action owners. This article is the output of three workshops organized by the projects FAIRsFAIR, RDA Europe, OpenAIRE, EOSC-hub, and FREYA designed to explore, discuss, and formulate recommendations among stakeholders in the scientific community. While the results are a work-in-progress, the challenges and priorities outlined provide a detailed and unique overview of current issues seen as crucial by the community that can sharpen and improve the roadmap toward a FAIR data ecosystem

Coherent multidimensional spectroscopy of dilute gas-phase nanosystems

Two-dimensional electronic spectroscopy (2DES) is one of the most powerful spectroscopic techniques, capable of attaining a nearly complete picture of a quantum system including its couplings, quantum coherence properties and its real-time dynamics. While successfully applied to a variety of condensed phase samples, high precision experiments on isolated quantum systems in the gas phase have been so far precluded by insufficient sensitivity. However, such experiments are essential for a precise understanding of fundamental mechanisms and to avoid misinterpretations, e.g. as for the nature of quantum coherences in energy trans-port. Here, we solve this issue by extending 2DES to isolated nanosystems in the gas phase prepared by helium nanodroplet isolation in a molecular beam-type experiment. This approach uniquely provides high flexibility in synthesizing tailored, quantum state-selected model systems of single and many-body properties. For demonstration, we deduce a precise and conclusive picture of the ultrafast coherent dynamics in isolated high-spin Rb2 molecules and present for the first time a dynamics study of the system-bath interaction between a single molecule (here Rb3) and a superfluid helium environment. The results demonstrate the unique capacity to elucidate prototypical interactions and dynamics in tailored quantum systems and bridges the gap to experiments in ultracold quantum science

Building Prototypes Aggregating Musicological Datasets on the Semantic Web

Semantic Web technologies such as RDF, OWL, and SPARQL can be successfully used to bridge complementary musicological information. In this paper, we describe, compare, and evaluate the datasets and workflows used to create two such aggregator projects: In Collaboration with In Concert, and JazzCats, both of which bring together a cluster of smaller projects containing concert and performance metadata

Strain-induced phonon shifts in tungsten disulfide nanoplatelets and nanotubes

The relationship between structure and properties has been followed for different nanoscale forms of tungsten disulfide (2H-WS2) namely exfoliated monolayer and few-layer nanoplatelets, and nanotubes. The similarities and differences between these nanostructured materials have been examined using a combination of optical microscopy, scanning and high-resolution transmissionelectron microscopy (SEM and HRTEM) and atomic force microscopy (AFM). Photoluminescence (PL) and Raman spectroscopy have also been used to distinguish between monolayer and few-layer material. Strain induced phonon shifts have been followed from the changes in the positions of the A1g and E2g1 Raman bands during uniaxial deformation. This has been modelled for monolayer using density functional theory (DFT) with excellent agreement between the measured and predicted behaviour. It has been found that as the number of WS2 layers increases for few-layer crystals or nanotubes, the A1g mode hardens whereas the E2g1 mode softens. This is believed to be due to theA1g mode, which involves out of plane atomic movements, being constrained by the increasing number of WS2 layers whereas easy sliding reduces stress transfer to the individual layers for the E2g1mode, involving only in-plane vibrations. This finding has enabled the anomalous phonon shift behaviour in earlier pressure measurements on WS2 to be resolved, as well as similar effects in othertransition metal dichalcogenides, such as molybdenum disulfide (MoS2), to be explained. <br/