المؤلفون: Elijošius, Rokas, Zills, Fabian, Batatia, Ilyes, Norwood, Sam Walton, Kovács, Dávid Péter, Holm, Christian, Csányi, Gábor

مصطلحات موضوعية: Physics - Chemical Physics, Computer Science - Machine Learning

URL الوصول: http://arxiv.org/abs/2402.08708

المؤلفون: Zills, Fabian, Schäfer, Moritz, Tovey, Samuel, Kästner, Johannes, Holm, Christian

مصطلحات موضوعية: Computer Science - Software Engineering, Computer Science - Artificial Intelligence, Computer Science - Machine Learning

URL الوصول: http://arxiv.org/abs/2401.10603

المؤلفون: Batatia, Ilyes, Benner, Philipp, Chiang, Yuan, Elena, Alin M., Kovács, Dávid P., Riebesell, Janosh, Advincula, Xavier R., Asta, Mark, Avaylon, Matthew, Baldwin, William J., Berger, Fabian, Bernstein, Noam, Bhowmik, Arghya, Blau, Samuel M., Cărare, Vlad, Darby, James P., De, Sandip, Della Pia, Flaviano, Deringer, Volker L., Elijošius, Rokas, El-Machachi, Zakariya, Falcioni, Fabio, Fako, Edvin, Ferrari, Andrea C., Genreith-Schriever, Annalena, George, Janine, Goodall, Rhys E. A., Grey, Clare P., Grigorev, Petr, Han, Shuang, Handley, Will, Heenen, Hendrik H., Hermansson, Kersti, Holm, Christian, Jaafar, Jad, Hofmann, Stephan, Jakob, Konstantin S., Jung, Hyunwook, Kapil, Venkat, Kaplan, Aaron D., Karimitari, Nima, Kermode, James R., Kroupa, Namu, Kullgren, Jolla, Kuner, Matthew C., Kuryla, Domantas, Liepuoniute, Guoda, Margraf, Johannes T., Magdău, Ioan-Bogdan, Michaelides, Angelos, Moore, J. Harry, Naik, Aakash A., Niblett, Samuel P., Norwood, Sam Walton, O'Neill, Niamh, Ortner, Christoph, Persson, Kristin A., Reuter, Karsten, Rosen, Andrew S., Schaaf, Lars L., Schran, Christoph, Shi, Benjamin X., Sivonxay, Eric, Stenczel, Tamás K., Svahn, Viktor, Sutton, Christopher, Swinburne, Thomas D., Tilly, Jules, van der Oord, Cas, Varga-Umbrich, Eszter, Vegge, Tejs, Vondrák, Martin, Wang, Yangshuai, Witt, William C., Zills, Fabian, Csányi, Gábor

مصطلحات موضوعية: Physics - Chemical Physics, Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/2401.00096

المؤلفون: Zaverkin, Viktor, Netz, Julia, Zills, Fabian, Köhn, Andreas, Kästner, Johannes

المصدر: J. Chem. Theory Comput. 2022, 18, 1, 1--12

مصطلحات موضوعية: Physics - Computational Physics, Condensed Matter - Materials Science, Statistics - Machine Learning

URL الوصول: http://arxiv.org/abs/2312.01415

المؤلفون: Abbott, Andrew P., Atkin, Rob, Bala, Muhammad Dabai, Brown, Stuart J., Bruce, Duncan W., Carbone, Paola, Castiglione, Franca, Gomes, Margarida Costa, Dufrêche, Jean François, Edler, Karen J., Feeney, Andrew, Goloviznina, Kateryna, Gómez-Estévez, Juan Luis, Groves, Timothy S., Hansen, Benworth, Hendrikse, Rachel, Holm, Christian, Illien, Pierre, Kjellander, Roland, Kornyshev, Alexei, Margulis, Claudio J., Maurer, Joshua, Miao, Shurui, Perkin, Susan, Rezabal, Elixabete, de Moraes, Beatriz Rocha, Roling, Bernhard, Rotenberg, Benjamin, Sangoro, Joshua, Schaeffer, Nicolas, Schönhoff, Monika, Shimizu, Karina, Slattery, John M., Taylor, Neave, Umebayashi, Yasuhiro, van den Bruinhorst, Adriaan, Watanabe, Masayoshi, Zills, Fabian

المصدر: Faraday Discussions. 253:146-180

مصطلحات موضوعية: Naturvetenskap, Kemi, Fysikalisk kemi, Natural Sciences, Chemical Sciences, Physical Chemistry

URL الوصول: https://lup.lub.lu.se/record/3a3ee958-5e9e-4a01-86d0-59f40675de3e
http://dx.doi.org/10.1039/d4fd90034k

المؤلفون: Zills, Fabian, Schäfer, Moritz René, Tovey, Samuel, Kästner, Johannes, Holm, Christian

Time: 530, 540

الاتاحة: https://doi.org/10.18419/opus-15193
http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-ds-152121
http://elib.uni-stuttgart.de/handle/11682/15212

المؤلفون: Zills, Fabian, Schäfer, Moritz René, Tovey, Samuel, Kästner, Johannes, Holm, Christian

المساهمون: Deutsche Forschungsgemeinschaft, Ministerium für Wirtschaft, Arbeit und Wohnungsbau Baden-Württemberg

المصدر: Faraday Discussions ; ISSN 1359-6640 1364-5498

الاتاحة: http://dx.doi.org/10.1039/d4fd00025k
http://pubs.rsc.org/en/content/articlepdf/2024/FD/D4FD00025K

المؤلفون: Tovey, Samuel, Zills, Fabian, Torres-Herrador, Francisco, Lohrmann, Christoph, Brückner, Marco, Holm, Christian

المساهمون: Deutsche Forschungsgemeinschaft, Baden-Wuerttemberg, Fonds Wetenschappelijk Onderzoek, Universität Stuttgart

المصدر: Journal of Cheminformatics ; volume 15, issue 1 ; ISSN 1758-2946

الاتاحة: http://dx.doi.org/10.1186/s13321-023-00687-y
https://link.springer.com/content/pdf/10.1186/s13321-023-00687-y.pdf
https://link.springer.com/article/10.1186/s13321-023-00687-y/fulltext.html

المؤلفون: Zills, Fabian, Schäfer, Moritz René, Tovey, Samuel, Kästner, Johannes, Holm, Christian

المصدر: Faraday Discussions; 2024, Issue 253, p129-145, 17p

المؤلفون: Zills, Fabian, Schäfer, Moritz René, Segreto, Nico, Kästner, Johannes, Holm, Christian, Tovey, Samuel

المساهمون: Deutsche Forschungsgemeinschaft, Ministerium f?r Wissenschaft, Forschung und Kunst Baden-W?rttemberg

المصدر: The Journal of Physical Chemistry B ; volume 128, issue 15, page 3662-3676 ; ISSN 1520-6106 1520-5207

الاتاحة: http://dx.doi.org/10.1021/acs.jpcb.3c07187
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.3c07187

المؤلفون: Zills, Fabian, Schaefer, Moritz, Tovey, Samuel

Relation: https://github.com/zincware/ZnTrack/tree/v0.8.0; https://doi.org/10.5281/zenodo.6472850; https://doi.org/10.5281/zenodo.14204257; oai:zenodo.org:14204257

الاتاحة: https://doi.org/10.5281/zenodo.14204257

المؤلفون: Wasmer, Johannes, Evans, Matthew, Blaiszik, Ben, Riebesell, Janosh, Zills, Fabian

مصطلحات موضوعية: ai4science, atomistic-machine-learning, scientific-machine-learning, community-resource, living-document, best-of-list, awesome-list, molecular-dynamics, density-functional-theory, computational-materials-science, computational-chemistry, quantum-chemistry, materials-discovery, materials-informatics, drug-discovery, surrogate-models, electronic-structure, interatomic-potentials, materials-datasets, chemistry-datasets

Relation: https://github.com/JuDFTteam/best-of-atomistic-machine-learning/tree/2024.08.19-13.22; https://zenodo.org/communities/fzj; https://zenodo.org/communities/hds-lee; https://zenodo.org/communities/judft; https://doi.org/10.5281/zenodo.10430261; https://doi.org/10.5281/zenodo.13342504; oai:zenodo.org:13342504

الاتاحة: https://doi.org/10.5281/zenodo.13342504

المؤلفون: Zills, Fabian

Relation: https://github.com/zincware/ZnTrack/tree/v0.6.0a3; https://doi.org/10.5281/zenodo.6472850; https://doi.org/10.5281/zenodo.7779377; oai:zenodo.org:7779377

الاتاحة: https://doi.org/10.5281/zenodo.7779377

المؤلفون: Tovey, Samuel, Zills, Fabian

Relation: https://github.com/zincware/ZnVis/tree/0.0.2; https://doi.org/10.5281/zenodo.7759246; https://doi.org/10.5281/zenodo.7759247; oai:zenodo.org:7759247

الاتاحة: https://doi.org/10.5281/zenodo.7759247

المؤلفون: Zaverkin, Viktor, Netz, Julia, Zills, Fabian, Köhn, Andreas, Kästner, Johannes

Relation: https://doi.org/10.5281/zenodo.5172155; https://doi.org/10.5281/zenodo.5172156; oai:zenodo.org:5172156

الاتاحة: https://doi.org/10.5281/zenodo.5172156

المؤلفون: Zaverkin, Viktor, Netz, Julia, Zills, Fabian, Köhn, Andreas, Kästner, Johannes

المصدر: Journal of Chemical Theory & Computation; 1/11/2022, Vol. 18 Issue 1, p1-12, 12p