Zobrazeno 1 - 10
of 23 877
pro vyhledávání: '"Janus A."'
Publikováno v:
Journal of Educational Management and Instruction, Vol 3, Iss 2, Pp 135-148 (2024)
Abstract This study focuses on the lived experiences of individuals with siblings with special needs as their tagasalo. It is deeply rooted in Filipino culture and refers to an individual who selflessly takes on the role of a caregiver. This role
Externí odkaz:
https://doaj.org/article/00bad90721814057a7311c6636306479
Machine-learning models in chemistry - when based on descriptors of atoms embedded within molecules - face essential challenges in transferring the quality of predictions of local electronic structures and their associated properties across chemical
Externí odkaz:
http://arxiv.org/abs/2409.17575
Local electronic-structure methods in quantum chemistry operate on the ability to compress electron correlations more efficiently in a basis of spatially localized molecular orbitals than in a parent set of canonical orbitals. However, many typical c
Externí odkaz:
http://arxiv.org/abs/2407.21576
Autor:
Zamok, Luna, Eriksen, Janus J.
We present a new theory for partitioning simulations of periodic and solid-state systems into physically sound atomic contributions at the level of Kohn-Sham density functional theory. Our theory is based on spatially localized linear combinations of
Externí odkaz:
http://arxiv.org/abs/2407.10148
Autor:
Jennifer A. Bartell, Lea M. Sommer, Janus A. J. Haagensen, Anne Loch, Rocio Espinosa, Søren Molin, Helle Krogh Johansen
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-13 (2019)
The pathogen Pseudomonas aeruginosa undergoes complex trait adaptation within cystic fibrosis patients. Here, Bartell, Sommer, and colleagues use statistical modeling of longitudinal isolates to characterize the joint genetic and phenotypic evolution
Externí odkaz:
https://doaj.org/article/9606569fa6c9475397ec460e418ea846
We present a wide-reaching revamp of the generalized many-body expanded full configuration interaction (MBE-FCI) method. First, we outline how to automatize the selection of reference active spaces whereby the inherent bias introduced through a manua
Externí odkaz:
http://arxiv.org/abs/2406.11343
Autor:
Avdizhiyan, Artur, Janus, Weronika, Szpytma, Marcin, Slezak, Tomasz, Przybylski, Marek, Chrobak, Maciej, Roddatis, Vladimir, Stupakiewicz, Andrzej, Razdolski, Ilya
Publikováno v:
Nano Lett. 2024, 24, 1, 466--471
Contemporary quantum plasmonics capture subtle corrections to the properties of plasmonic nano-objects in equilibrium. Here, we demonstrate nonequilibrium spill-out redistribution of the electronic density at the ultrafast time scale. As revealed by
Externí odkaz:
http://arxiv.org/abs/2406.01221
Autor:
Pleli, Alina, Baeuerle, Simon, Janus, Michel, Barth, Jonas, Mikut, Ralf, Lensch, Hendrik P. A.
Unsupervised clustering of wafer map defect patterns is challenging because the appearance of certain defect patterns varies significantly. This includes changing shape, location, density, and rotation of the defect area on the wafer. We present a ha
Externí odkaz:
http://arxiv.org/abs/2404.15436
Autor:
Greiner, Jonas, Gianni, Ivan, Nottoli, Tommaso, Lipparini, Filippo, Eriksen, Janus J., Gauss, Jürgen
Publikováno v:
J. Chem. Theory Comput. 20, 4663 (2024)
We present a novel implementation of the complete active space self-consistent field (CASSCF) method that makes use of the many-body expanded full configuration interaction (MBE-FCI) method to incrementally approximate electronic structures within la
Externí odkaz:
http://arxiv.org/abs/2403.17836
Publikováno v:
Applied Sciences, Vol 11, Iss 16, p 7760 (2021)
The global rise of antimicrobial resistance (AMR) constitutes a future health threat and dictates a need to explore alternative and non-chemical approaches. The aim of this study was to explore the use of weak resonant electromagnetic fields as a met
Externí odkaz:
https://doaj.org/article/c740fa98e2f44eaebf7b194f0fcecc32