Ultra-fast interpretable machine-learning potentials

Autor: Xie, Stephen R., Rupp, Matthias, Hennig, Richard G.

All-atom dynamics simulations are an indispensable quantitative tool in physics, chemistry, and materials science, but large systems and long simulation times remain challenging due to the trade-off between computational efficiency and predictive acc

Externí odkaz: http://arxiv.org/abs/2110.00624

Remarkable low-energy properties of the pseudogapped semimetal Be$_5$Pt

Autor: Fanfarillo, L., Hamlin, J. J., Hennig, R. G., Hire, Ajinkya, Hirschfeld, P. J., Kim, Jungsoo, Lim, Jinhyuk, Quan, Yundi, Stewart, G. R., Xie, Stephen R.

Publikováno v: Phys. Rev. B 102, 155206 (2020)

We report measurements and calculations on the properties of the intermetallic compound Be$_5$Pt. High-quality polycrystalline samples show a nearly constant temperature dependence of the electrical resistivity over a wide temperature range. On the o

Externí odkaz: http://arxiv.org/abs/2005.08327

Machine learning of octahedral tilting in oxide perovskites by symbolic classification with compressed sensing

Autor: Xie, Stephen R., Kotlarz, Parker, Hennig, Richard G., Nino, Juan C.

Publikováno v: In Computational Materials Science July 2020 180

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The 2021 Room-Temperature Superconductivity Roadmap

Autor: Lilia, Boeri, Hennig, Richard, Hirschfeld, Peter, Profeta, Gianni, Sanna, Antonio, Zurek, Eva, Pickett, Warren E, Amsler, Maximilian, Dias, Ranga, Eremets, Mikhail I, Heil, Christoph, Hemley, Russell J, Liu, Hanyu, Ma, Yanming, Pierleoni, Carlo, Kolmogorov, Aleksey N, Rybin, Nikita, Novoselov, Dmitry, Anisimov, Vladimir, Oganov, Artem R, Pickard, Chris J, Bi, Tiange, Arita, Ryotaro, Errea, Ion, Pellegrini, Camilla, Requist, Ryan, Gross, EKU, Margine, Elena Roxana, Xie, Stephen R, Quan, Yundi, Hire, Ajinkya, Fanfarillo, Laura, Stewart, GR, Hamlin, JJ, Stanev, Valentin, Gonnelli, Renato S, Piatti, Erik, Romanin, Davide, Daghero, Dario, Valenti, Roser

Publikováno v: Journal of Physics: Condensed Matter
Addi. Archivo Digital para la Docencia y la Investigación
instname
J Phys Condens Matter
Journal of Physics Condensed Matter

Designing materials with advanced functionalities is the main focus of contemporary solid-state physics and chemistry. Research efforts worldwide are funneled into a few high-end goals, one of the oldest, and most fascinating of which is the search f

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2d065544534b26667bab33f9c6af0ffc
https://www.repository.cam.ac.uk/handle/1810/334585