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  1. The National Science Foundation Office of Advanced Cyberinfrastructure (NSF-OAC) funded a workshop in March 2019 focused on advancing the sharing of machine-readable chemical structures and spectra. Around 40 stakeholders from the chemistry, chemical information, and software communities took part in the two-day workshop entitled “FAIR Chemical Data Publishing Guidelines for Chemical Structures and Spectra.” Major topics discussed included publishing data workflows and guidelines, FAIR criteria/metadata profiles, value propositions, a publisher implementation pilot, and community support and engagement. This report summarizes the workshop conversations, major outcomes, and target areas for further activities. Primary outcomes from the workshop include identification of keymore »metadata elements for sharing machine-readable structures and spectra, a sample of concise author guidelines, and a publisher proposal to accept enhanced supporting information files including these data types and associated metadata alongside articles. Selected target areas for further activities include the creation of author file and metadata packaging tools to facilitate easy compilation of data, and increased training for stakeholders specifically in the generation and handling of machine-readable file formats. We conclude this report with our outlooks and highlight several related community efforts initiated after the workshop.« less
  2. Abstract Amongst the rare-earth perovskite nickelates, LaNiO 3 (LNO) is an exception. While the former have insulating and antiferromagnetic ground states, LNO remains metallic and non-magnetic down to the lowest temperatures. It is believed that LNO is a strange metal, on the verge of an antiferromagnetic instability. Our work suggests that LNO is a quantum critical metal, close to an antiferromagnetic quantum critical point (QCP). The QCP behavior in LNO is manifested in epitaxial thin films with unprecedented high purities. We find that the temperature and magnetic field dependences of the resistivity of LNO at low temperatures are consistent withmore »scatterings of charge carriers from weak disorder and quantum fluctuations of an antiferromagnetic nature. Furthermore, we find that the introduction of a small concentration of magnetic impurities qualitatively changes the magnetotransport properties of LNO, resembling that found in some heavy-fermion Kondo lattice systems in the vicinity of an antiferromagnetic QCP.« less