Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Sergey Pozdnyakov"'
Publikováno v:
The Journal of chemical physics. 156(20)
Data-driven schemes that associate molecular and crystal structures with their microscopic properties share the need for a concise, effective description of the arrangement of their atomic constituents. Many types of models rely on descriptions of at
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9c8852aecc8dcc05240ee39b00f085e9
https://pubmed.ncbi.nlm.nih.gov/35649823
https://pubmed.ncbi.nlm.nih.gov/35649823
The input of almost every machine learning algorithm targeting the properties of matter at the atomic scale involves a transformation of the list of Cartesian atomic coordinates into a more symmetric representation. Many of the most popular represent
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d70e4651f45b420242a4ccff5eb4f33
https://aip.scitation.org/doi/10.1063/5.0057229
https://aip.scitation.org/doi/10.1063/5.0057229
Autor:
Sergey Pozdnyakov, Christoph Ortner, Albert P. Bartók, Michael J. Willatt, Michele Ceriotti, Gábor Csányi
Publikováno v:
Physical Review Letters. 125
Many-body descriptors are widely used to represent atomic environments in the construction of machine learned interatomic potentials and more broadly for fitting, classification and embedding tasks on atomic structures. It was generally believed that
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2c9b768e4ec731b6807ececb3bace1be
https://doi.org/10.1103/physrevlett.125.166001
https://doi.org/10.1103/physrevlett.125.166001
We introduce a new class of machine learning interatomic potentials - fast General Two- and Three-body Potential (GTTP), which is as fast as conventional empirical potentials and require computational time that remains constant with increasing fittin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::90c6b2bbe77db2f39627110279881ab3
Publikováno v:
Canadian Journal of Ophthalmology. 43:203-207
Background: The purpose of this study was to characterize the sequential development of focal and surround retinal injury and repair following transscleral diode laser to rat retina. Methods: Transscleral laser photocoagulation of the retina was indu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dd40e2859be06320430bb4ea962fce37
https://doi.org/10.3129/i08-027
https://doi.org/10.3129/i08-027
Publikováno v:
Challenging Mathematics In and Beyond the Classroom ISBN: 9780387096025
This chapter discusses several options that technology can bring tomathematics teaching and learning, in providing access to many challenging virtual resources that become easily available to all learners. Recent studies point to new challenging lear
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::04e81859b51bb9944aa9c59ee2280413
https://doi.org/10.1007/978-0-387-09603-2_4
https://doi.org/10.1007/978-0-387-09603-2_4
Publikováno v:
Canadian Urological Association Journal. 9:133
Testicular capillary hemangioma is a rare benign vascular tumour. We report a case of a 66-year-old man who underwent an uncomplicated radical orchiectomy for a painless left testicular mass. Pathology showed capillary hemangioma of the testis. There
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b1fd39f8b2f97202727bddf29a4375d6
https://doi.org/10.5489/cuaj.2318
https://doi.org/10.5489/cuaj.2318
Mapping an atomistic configuration to a symmetrized N-point correlation of a field associated with the atomic positions (e.g., an atomic density) has emerged as an elegant and effective solution to represent structures as the input of machine-learnin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cc977722f6e13c39e037582f38280c0b
https://infoscience.epfl.ch/record/280692
https://infoscience.epfl.ch/record/280692
Publikováno v:
Open Research Europe
Background: The increasingly common applications of machine-learning schemes to atomic-scale simulations have triggered efforts to better understand the mathematical properties of the mapping between the Cartesian coordinates of the atoms and the var
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::deb532a39b4b8dd6abd95794adc3ab7a