Zobrazeno 1 - 10
of 2 896
pro vyhledávání: '"P Rinke"'
Active learning (AL) has shown promise for being a particularly data-efficient machine learning approach. Yet, its performance depends on the application and it is not clear when AL practitioners can expect computational savings. Here, we carry out a
Externí odkaz:
http://arxiv.org/abs/2408.11191
Autor:
Esteki, Ardeshir, Riazimehr, Sarah, Piacentini, Agata, Knoops, Harm, Macco, Bart, Otto, Martin, Rinke, Gordon, Wang, Zhenxing, Ran, Ke, Mayer, Joachim, Grundmann, Annika, Kalisch, Holger, Heuken, Michael, Vescan, Andrei, Neumaier, Daniel, Daus, Alwin, Lemme, Max C.
Two-dimensional materials (2DMs) have been widely investigated because of their potential for heterogeneous integration with modern electronics. However, several major challenges remain, such as the deposition of high-quality dielectrics on 2DMs and
Externí odkaz:
http://arxiv.org/abs/2408.07183
Autor:
Sandström, Hilda, Rinke, Patrick
The formation of aerosol particles in the atmosphere impacts air quality and climate change, but many of the organic molecules involved remain unknown. Machine learning could aid in identifying these compounds through accelerated analysis of molecula
Externí odkaz:
http://arxiv.org/abs/2406.18171
Autor:
Azizi, Maryam, Wilhelm, Jan, Golze, Dorothea, Delesma, Francisco A., Panadés-Barrueta, Ramón L., Rinke, Patrick, Giantomassi, Matteo, Gonze, Xavier
Electronic structure calculations based on many-body perturbation theory (e.g. GW or the random-phase approximation (RPA)) require function evaluations in the complex time and frequency domain, for example inhomogeneous Fourier transforms or analytic
Externí odkaz:
http://arxiv.org/abs/2403.06709
This study explores the integration of the hyper-power sequence, a method commonly employed for approximating the Moore-Penrose inverse, to enhance the effectiveness of an existing preconditioner. The approach is closely related to polynomial precond
Externí odkaz:
http://arxiv.org/abs/2311.06926
Four-center two-electron Coulomb integrals routinely appear in electronic structure algorithms. The resolution-of-the-identity (RI) is a popular technique to reduce the computational cost for the numerical evaluation of these integrals in localized b
Externí odkaz:
http://arxiv.org/abs/2310.11058
Aerosols found in the atmosphere affect the climate and worsen air quality. To mitigate these adverse impacts, aerosol formation and aerosol chemistry in the atmosphere need to be better mapped out and understood. Currently, mass spectrometry is the
Externí odkaz:
http://arxiv.org/abs/2309.02268
Autor:
Gordon Abekah-Nkrumah, Charles Gyamfi Ofori, Maxwell Antwi, Alex Yao Attachey, Tobias F. Rinke de Wit, Wendy Janssens, James Duah, Charlotte Dieteren, Gifty Sunkwa-Mills
Publikováno v:
Cost Effectiveness and Resource Allocation, Vol 22, Iss 1, Pp 1-32 (2024)
Abstract Purpose Understanding the technical efficiency of health facilities is essential for an optimal allocation of scarce resources to primary health sectors. The COVID-19 pandemic may have further undermined levels of efficiency in low-resource
Externí odkaz:
https://doaj.org/article/2b0ac7b94ffc497e9f0aa93c419e5757
Publikováno v:
The Cryosphere, Vol 18, Pp 4053-4064 (2024)
The impact of a slightly modified broadband snow surface albedo parameterization, which explicitly considers the cloud dependence of the snow albedo, is evaluated in simulations of a coupled regional climate model of the Arctic. The cloud dependence
Externí odkaz:
https://doaj.org/article/65f7b0791b9a4e4d8fbcd6f499523a14
Quaternary mixed-metal chalcohalides (Sn$_2$BCh$_2$X$_3$) are emerging as promising lead-free perovskite-inspired photovoltaic absorbers. Motivated by recent developments of a first Sn$_2$BCh$_2$X$_3$-based device, we used density functional theory t
Externí odkaz:
http://arxiv.org/abs/2306.17745