Zobrazeno 1 - 10
of 12 689
pro vyhledávání: '"A, Thiede"'
Autor:
Cheng, Austin, Ser, Cher Tian, Skreta, Marta, Guzmán-Cordero, Andrés, Thiede, Luca, Burger, Andreas, Aldossary, Abdulrahman, Leong, Shi Xuan, Pablo-García, Sergio, Strieth-Kalthoff, Felix, Aspuru-Guzik, Alán
Publikováno v:
Faraday Discuss., 2024
Machine learning has been pervasively touching many fields of science. Chemistry and materials science are no exception. While machine learning has been making a great impact, it is still not reaching its full potential or maturity. In this perspecti
Externí odkaz:
http://arxiv.org/abs/2409.10304
Publikováno v:
Cham: Springer Nature Switzerland.2023
Cloud computing has grown in importance in recent years which has led to a significant increase in Data Centre (DC) network requirements. A major driver of this change is virtualisation, which allows computing resources to be deployed on a large scal
Externí odkaz:
http://arxiv.org/abs/2408.11486
The frequency dependence of (nonsequential) double ionization is studied in fully quantum mechanical calculations using a (1+1)-dimensional model atom. Other time-dependent effects such as the influence of the number of field cycles are also investig
Externí odkaz:
http://arxiv.org/abs/2407.11944
Molecular modeling at the quantum level requires choosing a parameterization of the wavefunction that both respects the required particle symmetries, and is scalable to systems of many particles. For the simulation of fermions, valid parameterization
Externí odkaz:
http://arxiv.org/abs/2311.05598
Autor:
Volokhova, Alexandra, Koziarski, Michał, Hernández-García, Alex, Liu, Cheng-Hao, Miret, Santiago, Lemos, Pablo, Thiede, Luca, Yan, Zichao, Aspuru-Guzik, Alán, Bengio, Yoshua
Sampling diverse, thermodynamically feasible molecular conformations plays a crucial role in predicting properties of a molecule. In this paper we propose to use GFlowNet for sampling conformations of small molecules from the Boltzmann distribution,
Externí odkaz:
http://arxiv.org/abs/2310.14782
Autor:
A. Martinetti, K. Nizamis, P. Chemweno, C. Goulas, L.A.M. van Dongen, I. Gibson, S. Thiede, E. Lutters, T. Vaneker, G. M. Bonnema
Publikováno v:
International Journal of Sustainable Engineering, Vol 17, Iss 1, Pp 1-12 (2024)
ABSTRACTThe concept of Industry 4.0, as a means to move forward in the industrial ecosystem, has reached an important turning point. Where do we stand now in terms of industrial innovation and transition? This opinion paper provides an overview of th
Externí odkaz:
https://doaj.org/article/76f59de8cff14ff7b4738ba36caaf01e
Autor:
Synne Arstad Bjørnestad, Monica Hongrø Solbakken, Pia Krokene, Bernd Thiede, Ketil Hylland, Kjetill S. Jakobsen, Sissel Jentoft, Oddmund Bakke, Cinzia Progida
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-17 (2024)
Abstract Atlantic cod has a peculiar immune system, characterized by the loss of Major Histocompatibility Complex (MHC) class II pathway, and an extreme expansion of the MHC class I gene repertoire. This has led to the hypothesis that some of the MHC
Externí odkaz:
https://doaj.org/article/d76a296a1e974320806cca07c68b11a4
Publikováno v:
ISPRS Annals of the Photogrammetry, Remote Sensing and Spatial Information Sciences, Vol X-4-2024, Pp 279-286 (2024)
Big data poses challenges for storage, management, processing, analysis and visualisation. One technique of handling big data is the use of a representative sample of the data. This paper proposes a sampling algorithm which makes use of multivariate
Externí odkaz:
https://doaj.org/article/7b4b1578bc0f484ea35a5ad92c0436f8
Publikováno v:
ISPRS Annals of the Photogrammetry, Remote Sensing and Spatial Information Sciences, Vol X-4-2024, Pp 357-364 (2024)
Accessibility analyses quantify the level of access to certain areas or opportunities, such as employment and healthcare facilities. Since public data is often aggregated at the level of regions, such as administrative units, it is useful to quantify
Externí odkaz:
https://doaj.org/article/7d3383bfd1ff44e9b6bd4dea0a84eb1b
Publikováno v:
Endangered Species Research, Vol 55, Pp 55-66 (2024)
Managers frequently rely on conservation hatcheries to maintain declining fish populations in the wild, which is the case for bonytail Gila elegans, an endangered species endemic to the Colorado River basin, USA. We used a multi-agency database of st
Externí odkaz:
https://doaj.org/article/1820d03e83934995b41faf02f0ba0027