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pro vyhledávání: '"Baldwin, A J"'
In the superionic phase of silver iodide, we observe a distorted tetragonal structure characterized by symmetry breaking in the cation distribution. This phase competes with the well known bcc phase, with a symmetric cation distribution at an energet
Externí odkaz:
http://arxiv.org/abs/2409.15217
Autor:
Baldwin, Matthew J., Harigaya, Keisuke
We consider electroweak-charged dark matter in an $SO(10)$ unified theory that solves the strong $CP$ problem via Parity. Electroweak-charged dark matter has a colored $SO(10)$ partner, whose mass should be much above the dark matter mass to avoid co
Externí odkaz:
http://arxiv.org/abs/2407.01696
A ubiquitous approach to obtain transferable machine learning-based models of potential energy surfaces for atomistic systems is to decompose the total energy into a sum of local atom-centred contributions. However, in many systems non-negligible lon
Externí odkaz:
http://arxiv.org/abs/2406.10915
Autor:
Karimitari, Nima, Baldwin, William J., Muller, Evan W., Bare, Zachary J. L., Kennedy, W. Joshua, Csányi, Gábor, Sutton, Christopher
Low dimensional hybrid organic-inorganic perovskites (HOIPs) represent a promising class of electronically active materials for both light absorption and emission. The design space of HOIPs is extremely large, since a diverse space of organic cations
Externí odkaz:
http://arxiv.org/abs/2403.06955
Autor:
Batatia, Ilyes, Benner, Philipp, Chiang, Yuan, Elena, Alin M., Kovács, Dávid P., Riebesell, Janosh, Advincula, Xavier R., Asta, Mark, Avaylon, Matthew, Baldwin, William J., Berger, Fabian, Bernstein, Noam, Bhowmik, Arghya, Blau, Samuel M., Cărare, Vlad, Darby, James P., De, Sandip, Della Pia, Flaviano, Deringer, Volker L., Elijošius, Rokas, El-Machachi, Zakariya, Falcioni, Fabio, Fako, Edvin, Ferrari, Andrea C., Genreith-Schriever, Annalena, George, Janine, Goodall, Rhys E. A., Grey, Clare P., Grigorev, Petr, Han, Shuang, Handley, Will, Heenen, Hendrik H., Hermansson, Kersti, Holm, Christian, Jaafar, Jad, Hofmann, Stephan, Jakob, Konstantin S., Jung, Hyunwook, Kapil, Venkat, Kaplan, Aaron D., Karimitari, Nima, Kermode, James R., Kroupa, Namu, Kullgren, Jolla, Kuner, Matthew C., Kuryla, Domantas, Liepuoniute, Guoda, Margraf, Johannes T., Magdău, Ioan-Bogdan, Michaelides, Angelos, Moore, J. Harry, Naik, Aakash A., Niblett, Samuel P., Norwood, Sam Walton, O'Neill, Niamh, Ortner, Christoph, Persson, Kristin A., Reuter, Karsten, Rosen, Andrew S., Schaaf, Lars L., Schran, Christoph, Shi, Benjamin X., Sivonxay, Eric, Stenczel, Tamás K., Svahn, Viktor, Sutton, Christopher, Swinburne, Thomas D., Tilly, Jules, van der Oord, Cas, Varga-Umbrich, Eszter, Vegge, Tejs, Vondrák, Martin, Wang, Yangshuai, Witt, William C., Zills, Fabian, Csányi, Gábor
Machine-learned force fields have transformed the atomistic modelling of materials by enabling simulations of ab initio quality on unprecedented time and length scales. However, they are currently limited by: (i) the significant computational and hum
Externí odkaz:
http://arxiv.org/abs/2401.00096
Autor:
Witt, William C., van der Oord, Cas, Gelžinytė, Elena, Järvinen, Teemu, Ross, Andres, Darby, James P., Ho, Cheuk Hin, Baldwin, William J., Sachs, Matthias, Kermode, James, Bernstein, Noam, Csányi, Gábor, Ortner, Christoph
We introduce ACEpotentials.jl, a Julia-language software package that constructs interatomic potentials from quantum mechanical reference data using the Atomic Cluster Expansion (Drautz, 2019). As the latter provides a complete description of atomic
Externí odkaz:
http://arxiv.org/abs/2309.03161
Autor:
Baldwin, Andrew J., Jones, Jonathan A.
Publikováno v:
Phys. Rev. A 107, 012427 (2023)
We consider the problem of efficiently computing the Uhlmann fidelity in the case when explicit density matrix descriptions are available. We derive an alternative formula which is simpler to evaluate numerically, saving a factor of 10 in time for la
Externí odkaz:
http://arxiv.org/abs/2211.02623
Publikováno v:
In Burns December 2024 50(9)
Autor:
Sainju, Rajat, Patino, Marlene, Baldwin, Matthew J., Atwani, Osman El, Kolasinski, Robert, Zhu, Yuanyuan
Publikováno v:
In Acta Materialia 1 October 2024 278
Autor:
Lee, Stephen T., Kelly, Jane, Stout, Virginia, Lamb, Sydney, Baldwin, Thomas J., Cook, Daniel
Publikováno v:
In Toxicon 2 August 2024 246