Zobrazeno 1 - 10
of 38 976
pro vyhledávání: '"A Wegner"'
Autor:
Fallani, Alessio, Nugmanov, Ramil, Arjona-Medina, Jose, Wegner, Jörg Kurt, Tkatchenko, Alexandre, Chernichenko, Kostiantyn
We evaluate the impact of pretraining Graph Transformer architectures on atom-level quantum-mechanical features for the modeling of absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of drug-like compounds. We compare th
Externí odkaz:
http://arxiv.org/abs/2410.08024
Autor:
Sturm, E., Davies, R., Alves, J., Clénet, Y., Kotilainen, J., Monna, A., Nicklas, H., Pott, J. -U., Tolstoy, E., Vulcani, B., Achren, J., Annadevara, S., Anwand-Heerwart, H., Arcidiacono, C., Barboza, S., Barl, L., Baudoz, P., Bender, R., Bezawada, N., Biondi, F., Bizenberger, P., Blin, A., Boné, A., Bonifacio, P., Borgo, B., Born, J. van den, Buey, T., Cao, Y., Chapron, F., Chauvin, G., Chemla, F., Cloiseau, K., Cohen, M., Collin, C., Czoske, O., Dette, J. -O., Deysenroth, M., Dijkstra, E., Dreizler, S., Dupuis, O., van Egmond, G., Eisenhauer, F., Elswijk, E., Emslander, A., Fabricius, M., Fasola, G., Ferreira, F., Schreiber, N. M. Förster, Fontana, A., Gaudemard, J., Gautherot, N., Gendron, E., Gennet, C., Genzel, R., Ghouchou, L., Gillessen, S., Gratadour, D., Grazian, A., Grupp, F., Guieu, S., Gullieuszik, M., de Haan, M., Hartke, J., Hartl, M., Haussmann, F., Helin, T., Hess, H. -J., Hofferbert, R., Huber, H., Huby, E., Huet, J. -M., Ives, D., Janssen, A., Jaufmann, P., Jilg, T., Jodlbauer, D., Jost, J., Kausch, W., Kellermann, H., Kerber, F., Kravcar, H., Kravchenko, K., Kulcsár, C., Kunkarayakti, H., Kunst, P., Kwast, S., Lang, F., Lange, J., Lapeyrere, V., Ruyet, B. Le, Leschinski, K., Locatelli, H., Massari, D., Mattila, S., Mei, S., Merlin, F., Meyer, E., Michel, C., Mohr, L., Montargès, M., Müller, F., Münch, N., Navarro, R., Neumann, U., Neumayer, N., Neumeier, L., Pedichini, F., Pflüger, A., Piazzesi, R., Pinard, L., Porras, J., Portaluri, E., Przybilla, N., Rabien, S., Raffard, J., Raggazoni, R., Ramlau, R., Ramos, J., Ramsay, S., Raynaud, H. -F., Rhode, P., Richter, A., Rix, H. -W., Rodenhuis, M., Rohloff, R. -R., Romp, R., Rousselot, P., Sabha, N., Sassolas, B., Schlichter, J., Schuil, M., Schweitzer, M., Seemann, U., Sevin, A., Simioni, M., Spallek, L., Sönmez, A., Suuronen, J., Taburet, S., Thomas, J., Tisserand, E., Vaccari, P., Valenti, E., Kleijn, G. Verdoes, Verdugo, M., Vidal, F., Wagner, R., Wegner, M., van Winden, D., Witschel, J., Zanella, A., Zeilinger, W., Ziegleder, J., Ziegler, B.
MICADO is a first light instrument for the Extremely Large Telescope (ELT), set to start operating later this decade. It will provide diffraction limited imaging, astrometry, high contrast imaging, and long slit spectroscopy at near-infrared waveleng
Externí odkaz:
http://arxiv.org/abs/2408.16396
Change-points in functional time series can be detected using the CUSUM-statistic, which is a non-linear functional of the partial sum process. Various methods have been proposed to obtain critical values for this statistic. In this paper we use the
Externí odkaz:
http://arxiv.org/abs/2408.05071
Autor:
Sivakumar, Nikhil S., Aretz, Joost, Scherb, Sebastian, Mavrič, Marion van Midden, Huijgen, Nora, Kamber, Umut, Wegner, Daniel, Khajetoorians, Alexander A., Rösner, Malte, Hauptmann, Nadine
Scanning tunneling microscopy is the method of choice for characterizing charge density waves by imaging the variation in atomic-scale contrast of the surface. Due to the measurement principle of scanning tunneling microscopy, the electronic and latt
Externí odkaz:
http://arxiv.org/abs/2407.17231
Orbital currents in lattice multiorbital systems: Continuity equation, torques, and RKKY interaction
Publikováno v:
Phys. Rev. B 110, 104423, (2024)
Utilizing the electron orbital degree of freedom in heterostructures is attracting increasing attention due to the possibility of achieving much larger conversion rates between charge and orbital angular momentum flow compared to the intrinsic electr
Externí odkaz:
http://arxiv.org/abs/2406.18668
Message passing neural networks (MPNNs) operate on graphs by exchanging information between neigbouring nodes. MPNNs have been successfully applied to various node-, edge-, and graph-level tasks in areas like molecular science, computer vision, natur
Externí odkaz:
http://arxiv.org/abs/2406.16687
Publikováno v:
Phys. Rev. B 110, 054446 (2024)
Altermagnets is a class of antiferromagnetic materials which has electron bands with lifted spin degeneracy in momentum space but vanishing net magnetization and no stray magnetic fields. Because of these properties, altermagnets have attracted much
Externí odkaz:
http://arxiv.org/abs/2406.07603
Autor:
Redondo, M. E. García, Müller, N. A., Salum, J. M., Ferreyro, L. P., Bonilla-Neira, J. D., Geria, J. M., Bonaparte, J. J., Muscheid, T., Gartmann, R., Almela, A., Hampel, M. R., Fuster, A. E., Ardila-Perez, L. E., Wegner, M., Platino, M., Sander, O., Kempf, S., Weber, M.
The Microwave SQUID Multiplexer ({\mu}MUX) is the device of choice for the readout of a large number of Low-Temperature Detectors in a wide variety of experiments within the fields of astronomy and particle physics. While it offers large multiplexing
Externí odkaz:
http://arxiv.org/abs/2406.06782
Accurate estimates of Above Ground Biomass (AGB) are essential in addressing two of humanity's biggest challenges, climate change and biodiversity loss. Existing datasets for AGB estimation from satellite imagery are limited. Either they focus on spe
Externí odkaz:
http://arxiv.org/abs/2406.04928
Autor:
Dietrich, Olivier, Peters, Torben, Garnot, Vivien Sainte Fare, Sticher, Valerie, Whelan, Thao Ton-That, Schindler, Konrad, Wegner, Jan Dirk
Access to detailed war impact assessments is crucial for humanitarian organizations to effectively assist populations most affected by armed conflicts. However, maintaining a comprehensive understanding of the situation on the ground is challenging,
Externí odkaz:
http://arxiv.org/abs/2406.02506