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Jones, Barbara

Publications and source records attributed to Jones, Barbara.

Quantum-centric supercomputing for materials science: A perspective on challenges and future directions

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Computationally hard tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their resources for simulation, analysis, and data processing. Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science. In order to do that, the quantum technology must interact with conventional high-performance computing in several ways: approximate results validation, identification of hard problems, and synergies in quantum-centric supercomputing. Here in this paper, we provide a perspective on how quantum-centric supercomputing can help address critical computational problems in materials science, the challenges to face in order to solve representative use cases, and new suggested directions.

36 MATERIALS SCIENCE

Mid-Infrared Observational and Theoretical Studies of Star Formation and Early Solar Systems

The first 2 years of this program were used to make mid-IR observations of regions of star formation in the Orion nebula with the UCSD mid-IR camera at the UCSD/University of Minnesota telescope at Mt. Lemmon. These observations attempted to make the first systematic study of an extended region, known to have newly forming stars, and expected to have complex mid-IR emission. We discovered, to our surprise, that most of the thermal emission originated from extended sources rather than from point sources. This interesting observation made the analysis of the data much more complex, since the chop/nod procedures used at these wavelengths produce a differential measurement of the emission in one region compared to that in the adjacent region. Disentangling complex extended emission in such a situation is very difficult. In parallel with this work we were also observing comets in the thermal infrared, the other component of the original proposal. Some spectacular data on the comet Swift-Tuttle was acquired and published. A changing jet structure observed over a 2 week period is described. The rotation period of the comet can be measured at 66 hours. The size of the nucleus can also be estimated (at 30 km) from the observed excess flux from the nucleus. These data have lead to the development of models describing the action of dust particles of differing sizes and composition leaving the nucleus. The spatial distribution of the predicted IR emission has been compared to the observed jet structures, leading to estimates of both particles sizes, relative amounts of silicate vs organic grains, and the amounts of dust emitted in the jets vs isotopic emission.

Jones, Barbara

Star formation in Seyfert galaxies

An analysis of the IRAS data for a sample of classical (optically selected) Seyfert galaxies is presented. The IRAS fluxes at 25 micron, 60 micron, and 100 micron are found to be uncorrelated or only very weakly correlated with the UV/Optical continuum flux and the near and mid IR flux at 3.5 and 10 microns. To investigate the possibility that star formation accounts for the far IR flux, the IRAS measurements for the Seyfert galaxies are compared to IRAS observations of a sample of normal spiral galaxies, and a sample of Starburst galaxies. It is shown that the far IR luminosities and far IR colors of Seyfert galaxies are indistinguishable from those of the Starburst galaxies. Besides, normal galaxies are an order of magnitude less luminous than both the Seyfert and the Starburst galaxies. This indicates that star formation produces the bulk of the far infrared emission in Seyfert galaxies.

Espinosa, J. M. Rodriguez