194,574 research outputs found
AI3SD Video: Accelerating structure prediction models for materials discovery
No full textThe discovery of new functional materials can be guided by computational screening, particularly if the structure of a material can be reliably predicted from its chemical composition. For this application, we have been developing the use energy-structure-function maps [1], which summarise the crystal structures available to a given molecule and the relevant properties that are predicted for these structures. The use of these methods is still limited by the computational cost of crystal structure prediction (CSP). Most of the cost of CSP is associated with the calculation of the relative energies of predicted crystal structures using energy models that are sufficiently accurate to provide reliable energetic rankings. To speed up these methods, we have been developing machine learning approaches to predict high quality energies (e.g. from solid state density functional theory) from structures that have been generated with computationally efficient energy models [2-4]. The talk will discuss the performance of these methods, which use Gaussian Process Regression based on descriptors of local environments of atoms within crystal structures. I will also describe how these descriptors can be used to more quickly navigate the structure-property landscapes of molecular crystals [5] and how fast CSP can be applied to screen chemical space for the most promising molecules for a given application [6].[1] Functional materials discovery using energy–structure–function maps, A. Pulido et al, Nature 2017, 543, 657.[2] Machine learning for the structure–energy–property landscapes of molecular crystals, F. Musil, S. De, J. Yang, J. E. Campbell, G. M. Day and M Ceriotti, Chem. Sci. 2018, 9, 1289-1300.[3] Machine-Learned Fragment-Based Energies for Crystal Structure Prediction, D. McDonagh, C.-K. Skylaris and G. M. Day, J. Chem. Theory Comput. 2019, 15, 2743–2758[4] Multi-fidelity Statistical Machine Learning for Molecular Crystal Structure Prediction, O. Egorova, R. Hafizi, D. C. Woods and G. M. Day, J. Phys. Chem. A 2020, 124, 39, 8065–8078.[5] Distributed Multi-Objective Bayesian Optimization for the Intelligent Navigation of Energy Structure Function Maps For Efficient Property Discovery, E. Pyzer-Knapp, G. M. Day, L. Chen, A. I. Cooper, ChemRxiv 2020, https://doi.org/10.26434/chemrxiv.13019960.v1[6] Evolutionary chemical space exploration for functional materials: computational organic semiconductor discovery, C. Y. Cheng, J. E. Campbell and G. M. Day, Chem. Sci. 2020, 11, 4922-4933
Retelling racialized violence, remaking white innocence: the politics of interlocking oppressions in transgender day of remembrance
No full textTransgender Day of Remembrance has become a significant political event among those resisting violence against gender-variant persons. Commemorated in more than 250 locations worldwide, this day honors individuals who were killed due to anti-transgender hatred or prejudice. However, by focusing on transphobia as the definitive cause of violence, this ritual potentially obscures the ways in which hierarchies of race, class, and sexuality constitute such acts. Taking the Transgender Day of Remembrance/Remembering Our Dead project as a case study for considering the politics of memorialization, as well as tracing the narrative history of the Fred F. C. Martinez murder case in Colorado, the author argues that deracialized accounts of violence produce seemingly innocent White witnesses who can consume these spectacles of domination without confronting their own complicity in such acts. The author suggests that remembrance practices require critical rethinking if we are to confront violence in more effective ways. Description from publisher's site: http://caliber.ucpress.net/doi/abs/10.1525/srsp.2008.5.1.2
[Supplementary Offense Report by L. D. Montgomery, L. C. Graves, and M. Johnson #2]
No full textSupplementary offense report by L. D. Montgomery, L. C. Graves, and M. Johnson. Mrs. Wilma Tice received threatening phone calls because she had seen Jack Ruby at Parkland Hospital on the day the President was killed
[Supplementary Offense Report by L. D. Montgomery, L. C. Graves, and M. Johnson #3]
No full textSupplementary offense report by L. D. Montgomery, L. C. Graves, and M. Johnson. Mrs. Wilma Tice received threatening phone calls because she had seen Jack Ruby at Parkland Hospital on the day the President was killed. The report was signed by L. D. Montgomery
[Supplementary Offense Report by L. D. Montgomery, L. C. Graves, and M. Johnson #1]
No full textSupplementary offense report by L. D. Montgomery, L. C. Graves, and M. Johnson. Mrs. Wilma Tice received threatening phone calls because she had seen Jack Ruby at Parkland Hospital on the day the President was killed. The report was signed by L. D. Montgomery
[Supplementary Offense Report by J. C. Day, December 30, 1963]
No full textSupplementary offense report written by Lieutenant J. C. Day of the Dallas Police Department. In the report, Day states that shells and spent hulls were delivered to G. N. Doughty and then released to M. Johnson and L. D. Montgomery
Star quilts, by Lois Rossetta Robison Bridges
No full textImage of a Star quilt created before 1950 by Lois Rossetta Robison Bridges. Also includes questionnaires describing the quilt completed by Max L. Day as part of the Utah Quilt Guild\u27s documentation days held from 1988-1994. Present owner, Max received it form Lila Day as a wedding gift in 195
Data repository: Harrison Day et al 2023 New Phytologist
No full textSource data and analysis files in support of -"The root of the problem: diverse vulnerability to xylem cavitation found within the root system of wheat plants", by Beatrice L. Harrison Day, Kate M. Johnson, Vanessa Tonet, Ibrahim Bourbia, Chris Blackman, Timothy J. Brodribb. Published in New Phytologist 2023
High-Speed Video Analysis Reveals Individual Variability in the Courtship Displays of Male Golden-Collared Manakins
No full textAbstract
The males of the Golden-collared manakin (Manacus vitellinus), a passerine bird of the Neotropical region, perform elaborate courtship displays that are among the most spectacular in the animal kingdom. During a 7-month long breeding season, male manakins aggregate in leks of up to 12 individuals, and each male clears a small ‘court’ on the forest floor where he spends several hours per day performing his displays either with or without the presence of a female. Like males of other manakin species, males of M. vitellinus produce loud mechanical sounds with their wings during the displays. The elaborate displays of the manakins are thought to be the result of sexual selection, which is particularly intense in lekking species in which females choose their mate mainly on the basis of behavioural and morphological features. However, we know little about differences in display between male manakins which may be related to individual differences in reproductive success. A quantitative, detailed analysis of the courtship displays has been difficult because the birds’ movements are too fast to be studied with standard video recording techniques. For the first time, we recorded the displays of male Golden-collared manakins in the forest of Panama with a high-speed camera that allows a time resolution 5-40 times higher than that of a standard video camera. We found that several elements of the displays differed significantly between individuals. In addition, the slow-motion analysis revealed features of the displays that had not been described in previous studies. Individually different features of the displays may form the basis for female choice and will allow testing hypotheses about the evolution of the manakin displays by sexual selection and their importance for speciation mechanisms in the genus Manacus
Chemical Proteomics Discloses Petrosapongiolide M, an Anti-inflammatory Marine Sesterterpene, as a New Proteasome Inhibitor
No full textChemical Proteomics Discloses Petrosapongiolide M, an Anti-inflammatory Marine Sesterterpene, as a New Proteasome Inhibito
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