Zobrazeno 1 - 10
of 822
pro vyhledávání: '"Lubeck, P."'
Autor:
Pela, Ronaldo Rodrigues, Vona, Cecilia, Lubeck, Sven, Alex, Ben, Oliva, Ignacio Gonzalez, Draxl, Claudia
Publikováno v:
npj Comput Mater 10, 77 (2024)
Two-dimensional (2D) materials combine many fascinating properties that make them more interesting than their three-dimensional counterparts for a variety of applications. For example, 2D materials exhibit stronger electron-phonon and electron-hole i
Externí odkaz:
http://arxiv.org/abs/2310.04198
A new method is presented that allows for efficient evaluation of spin-orbit coupling (SOC) in density-functional theory calculations. In the so-called second-variational scheme, where Kohn-Sham functions obtained in a scalar-relativistic calculation
Externí odkaz:
http://arxiv.org/abs/2306.02965
Autor:
Speckhard, Daniel T., Carbogno, Christian, Ghiringhelli, Luca, Lubeck, Sven, Scheffler, Matthias, Draxl, Claudia
The numerical precision of density-functional-theory (DFT) calculations depends on a variety of computational parameters, one of the most critical being the basis-set size. The ultimate precision is reached with an infinitely large basis set, i.e., i
Externí odkaz:
http://arxiv.org/abs/2303.14760
Autor:
Denys Oliinyk, Andreas Will, Felix R Schneidmadel, Maximilian Böhme, Jenny Rinke, Andreas Hochhaus, Thomas Ernst, Nina Hahn, Christian Geis, Markus Lubeck, Oliver Raether, Sean J Humphrey, Florian Meier
Publikováno v:
Molecular Systems Biology, Vol 20, Iss 8, Pp 972-995 (2024)
Abstract Mass spectrometry has revolutionized cell signaling research by vastly simplifying the analysis of many thousands of phosphorylation sites in the human proteome. Defining the cellular response to perturbations is crucial for further illumina
Externí odkaz:
https://doaj.org/article/6e562a7488544cb3987d5a02f54ee0a2
Autor:
Ronaldo Rodrigues Pela, Cecilia Vona, Sven Lubeck, Ben Alex, Ignacio Gonzalez Oliva, Claudia Draxl
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-11 (2024)
Abstract Two-dimensional (2D) materials combine many fascinating properties that make them more interesting than their three-dimensional counterparts for a variety of applications. For example, 2D materials exhibit stronger electron-phonon and electr
Externí odkaz:
https://doaj.org/article/b7daeb6fcc9b49e5abc9cee21d0fb418
Autor:
Alberto Gil-Jimenez, Nick van Dijk, Joris L. Vos, Yoni Lubeck, Maurits L. van Montfoort, Dennis Peters, Erik Hooijberg, Annegien Broeks, Charlotte L. Zuur, Bas W. G. van Rhijn, Daniel J. Vis, Michiel S. van der Heijden, Lodewyk F. A. Wessels
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-15 (2024)
Abstract Immune checkpoint inhibitors (ICI) can achieve remarkable responses in urothelial cancer (UC), which may depend on tumor microenvironment (TME) characteristics. However, the relationship between the TME, usually characterized by immune cell
Externí odkaz:
https://doaj.org/article/a20ad317c6494fd7817047ddf7796a9d
Autor:
Di Wu, Anna Cline-Smith, Brady Chrisler, Brittani Lubeck, Ajit Perla, Sumona Banerjee, Ida Fan, Rajeev Aurora
Publikováno v:
Nutrients, Vol 16, Iss 19, p 3289 (2024)
Objective: Milk production during lactation places a high demand for calcium that is fulfilled both from maternal bone resorption and diet. While it is known that mammary gland-derived PTHrP drives bone resorption during lactation, the impact of post
Externí odkaz:
https://doaj.org/article/48becc190573429ab9ebdbbcf610ba01
Autor:
Carbogno, Christian, Thygesen, Kristian Sommer, Bieniek, Björn, Draxl, Claudia, Ghiringhelli, Luca M., Gulans, Andris, Hofmann, Oliver T., Jacobsen, Karsten W., Lubeck, Sven, Mortensen, Jens Jørgen, Strange, Mikkel, Wruss, Elisabeth, Scheffler, Matthias
Electronic-structure theory is a strong pillar of materials science. Many different computer codes that employ different approaches are used by the community to solve various scientific problems. Still, the precision of different packages has only re
Externí odkaz:
http://arxiv.org/abs/2008.10402
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