المؤلفون: Farris, Riccardo, Neyman, Konstantin M., Bruix, Albert

المصدر: Journal of Chemical Physics; 10/7/2024, Vol. 161 Issue 13, p1-18, 18p

مصطلحات موضوعية: OPTIMIZATION algorithms, GLOBAL optimization, LANDSCAPE assessment, MACHINE learning, NANOPARTICLES

المؤلفون: Xie, Xianxian, Briega-Martos, Valentín, Alemany, Pere, Mohandas Sandhya, Athira Lekshmi, Skála, Tomáš, Rodríguez, Miquel Gamón, Nováková, Jaroslava, Dopita, Milan, Vorochta, Michael, Bruix, Albert, Cherevko, Serhiy, Neyman, Konstantin M., Matolínová, Iva, Khalakhan, Ivan

المساهمون: German Academic Exchange Service, Agencia Estatal de Investigaci?n, European Regional Development Fund, Ministerstvo ?kolstv?, Ml?de?e a Telov?chovy, Grantov? Agentura Cesk? Republiky, Generalitat de Catalunya

المصدر: ACS Catalysis ; volume 15, issue 1, page 234-245 ; ISSN 2155-5435 2155-5435

الاتاحة: https://doi.org/10.1021/acscatal.4c05269
https://pubs.acs.org/doi/pdf/10.1021/acscatal.4c05269

المؤلفون: Piliai, Lesia, Castro-Latorre, Pablo, Pchálek, František, Oveysipoor, Shiva, Kosto, Yuliia, Khalakhan, Ivan, Skála, Tomáš, Neyman, Konstantin M., Alemany, Pere, Vorochta, Michael, Bruix, Albert, Matvija, Peter, Matolínová, Iva

المساهمون: Ministerio de Ciencia, Innovaci?n y Universidades, Central European Research Infrastructure Consortium, Grantov? Agentura Cesk? Republiky, Ag?ncia de Gesti? d'Ajuts Universitaris i de Recerca, 'la Caixa' Foundation, European Cooperation in Science and Technology, Red Espa?ola de Supercomputaci?n

المصدر: ACS Applied Materials & Interfaces ; volume 16, issue 35, page 46858-46871 ; ISSN 1944-8244 1944-8252

الاتاحة: http://dx.doi.org/10.1021/acsami.4c05542
https://pubs.acs.org/doi/pdf/10.1021/acsami.4c05542

المؤلفون: Farris, Riccardo, Merinov, Boris V., Bruix, Albert, Neyman, Konstantin M.

المصدر: Journal of Chemical Physics; 3/28/2024, Vol. 160 Issue 12, p1-9, 9p

مصطلحات موضوعية: DOPING agents (Chemistry), DENSITY functionals, PROTON exchange membrane fuel cells, CATALYSIS, DENSITY functional theory

المؤلفون: Eickholt, Philipp, Sanders, Charlotte, Dendzik, Maciej, Bignardi, Luca, Lizzit, Daniel, Lizzit, Silvano, Bruix, Albert, Hofmann, Philip, Donath, Markus

المصدر: Phys. Rev. Lett. 121, 136402 (2018)

مصطلحات موضوعية: Condensed Matter - Materials Science, Condensed Matter - Mesoscale and Nanoscale Physics

URL الوصول: http://arxiv.org/abs/1807.11235

المؤلفون: Bruix, Albert, Lauritsen, Jeppe Vang, Hammer, Bjørk

مصطلحات موضوعية: Condensed Matter - Materials Science, Condensed Matter - Mesoscale and Nanoscale Physics

URL الوصول: http://arxiv.org/abs/1805.01244

المؤلفون: Zerbato, Elena, Farris, Riccardo, Fronzoni, Giovanna, Neyman, Konstantin M, Stener, Mauro, Bruix, Albert

المساهمون: Zerbato, Elena, Farris, Riccardo, Fronzoni, Giovanna, Neyman, Konstantin M, Stener, Mauro, Bruix, Albert

مصطلحات موضوعية: Adsorption, Energy, Metal nanoparticle, Oxidation, Plasmonics

Relation: info:eu-repo/semantics/altIdentifier/pmid/38039331; volume:127/2023; issue:49; firstpage:10412; lastpage:10424; numberofpages:13; journal:THE JOURNAL OF PHYSICAL CHEMISTRY. A.; https://hdl.handle.net/11368/3066778; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85179786224

الاتاحة: https://hdl.handle.net/11368/3066778
https://doi.org/10.1021/acs.jpca.3c05801
https://pubs.acs.org/doi/10.1021/acs.jpca.3c05801

المؤلفون: Xie, Xianxian, Briega-Martos, Valentín, Alemany, Pere, Mohandas Sandhya, Athira Lekshmi, Skála, Tomáš, Rodríguez, Miquel Gamón, Nováková, Jaroslava, Dopita, Milan, Vorochta, Michael, Bruix, Albert, Cherevko, Serhiy, Neyman, Konstantin M., Matolínová, Iva, Khalakhan, Ivan

المصدر: ACS Catalysis; 1/3/2025, Vol. 15 Issue 1, p234-245, 12p

المؤلفون: Dendzik, Maciej, Bruix, Albert, Michiardi, Matteo, Ngankeu, Arlette S., Bianchi, Marco, Miwa, Jill A., Hammer, Bjørk, Hofmann, Philip, Sanders, Charlotte E.

المصدر: Phys. Rev. B 96, 235440 (2017)

مصطلحات موضوعية: Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/1708.02799

المؤلفون: Slavinskaya, Elena M., Stadnichenko, Andrey I., Quinlivan Domínguez, Jon E., Stonkus, Olga A., Vorokhta, M., míd, Břetislav, Castro-Latorre, Pablo, Bruix, Albert, Neyman, Konstantin M., Boronin, Andrei I.

المصدر: Articles publicats en revistes (Ciència dels Materials i Química Física)

مصطلحات موضوعية: Oxidació, Metalls, Catalitzadors, Oxidation, Metals, Catalysts

وصف الملف: 15 p.; application/pdf

Relation: Reproducció del document publicat a: https://doi.org/10.1016/j.jcat.2023.03.004; Journal of Catalysis, 2023, vol. 421, p. 285-299; https://doi.org/10.1016/j.jcat.2023.03.004; http://hdl.handle.net/2445/198962; 732846

الاتاحة: http://hdl.handle.net/2445/198962

المؤلفون: Castro-Latorre, Pablo, Neyman, Konstantin M., Bruix, Albert

المساهمون: Ministerio de Ciencia e Innovaci?n, Ag?ncia de Gesti? d'Ajuts Universitaris i de Recerca, 'la Caixa' Foundation, European Cooperation in Science and Technology

المصدر: The Journal of Physical Chemistry C ; volume 127, issue 36, page 17700-17710 ; ISSN 1932-7447 1932-7455

الاتاحة: http://dx.doi.org/10.1021/acs.jpcc.3c03383
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.3c03383

المؤلفون: Sanders, Charlotte E., Dendzik, Maciej, Ngankeu, Arlette S., Eich, Andreas, Bruix, Albert, Bianchi, Marco, Miwa, Jill A., Hammer, Bjørk, Khajetoorians, Alexander A., Hofmann, Philip

المصدر: Phys. Rev. B 94, 081404 (2016)

مصطلحات موضوعية: Condensed Matter - Strongly Correlated Electrons, Condensed Matter - Mesoscale and Nanoscale Physics

URL الوصول: http://arxiv.org/abs/1606.05856

المؤلفون: Warmuth, Jonas, Bruix, Albert, Michiardi, Matteo, Hänke, Torben, Bianchi, Marco, Wiebe, Jens, Wiesendanger, Roland, Hammer, Bjørk, Hofmann, Philip, Khajetoorians, Alexander A.

مصطلحات موضوعية: Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/1603.08724

المؤلفون: Bruix, Albert, Miwa, Jill A., Hauptmann, Nadine, Wegner, Daniel, Ulstrup, Søren, Grønborg, Signe S., Sanders, Charlotte E., Dendzik, Maciej, Čabo, Antonija Grubišić, Bianchi, Marco, Lauritsen, Jeppe V., Khajetoorians, Alexander A., Hammer, Bjørk, Hofmann, Philip

المصدر: Phys. Rev. B 93, 165422 (2016)

مصطلحات موضوعية: Condensed Matter - Strongly Correlated Electrons, Condensed Matter - Mesoscale and Nanoscale Physics

URL الوصول: http://arxiv.org/abs/1601.00095

المؤلفون: Bruix, Albert, Füchtbauer, Henrik G., Tuxen, Anders K., Walton, Alex S., Andersen, Mie, Porsgaard, Søren, Besenbacher, Flemming, Hammer, Bjørk, Lauritsen, Jeppe V.

المصدر: ACS Nano, 2015, 9 (9), pp 9322-9330

مصطلحات موضوعية: Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/1511.04254

المؤلفون: Piliai, Lesia, Castro-Latorre, Pablo, Pchálek, František, Oveysipoor, Shiva, Kosto, Yuliia, Khalakhan, Ivan, Skála, Tomáš, Neyman, Konstantin M., Alemany, Pere, Vorochta, Michael, Bruix, Albert, Matvija, Peter, Matolínová, Iva

المصدر: ACS Applied Materials & Interfaces; 9/4/2024, Vol. 216 Issue 35, p46858-46871, 14p

المؤلفون: Quinlivan Domínguez, Jon E., Neyman, Konstantin M., Bruix, Albert

المصدر: Articles publicats en revistes (Ciència dels Materials i Química Física)

مصطلحات موضوعية: Materials nanoestructurats, Metalls, Teoria del funcional de densitat, Nanostructured materials, Metals, Density functionals

وصف الملف: application/pdf

Relation: Reproducció del document publicat a: https://doi.org/10.1063/5.0099927; Journal of Chemical Physics, 2022, vol. 157; https://doi.org/10.1063/5.0099927; http://hdl.handle.net/2445/190135; 724471

الاتاحة: http://hdl.handle.net/2445/190135

المؤلفون: Piqué, Oriol, Koleva, Iskra Z., Bruix, Albert, Viñes Solana, Francesc, Aleksandrov, Hristiyan A., Vayssilov, Georgi N., Illas i Riera, Francesc

المصدر: Articles publicats en revistes (Ciència dels Materials i Química Física)

مصطلحات موضوعية: Carbó, Difusió, Metalls, Aprenentatge automàtic, Coal, Diffusion, Metals, Machine learning

وصف الملف: 14 p.; application/pdf

Relation: Reproducció del document publicat a: https://doi.org/10.1021/acscatal.2c01562; ACS Catalysis, 2022, vol. 12, num. 15, p. 9256-9269; https://doi.org/10.1021/acscatal.2c01562; http://hdl.handle.net/2445/193038; 726734

الاتاحة: http://hdl.handle.net/2445/193038

المؤلفون: Bezkrovnyi, Oleksii, Bruix, Albert, Blaumeiser, Dominik, Piliai, Lesia, Schötz, Simon, Bauer, Tanja, Khalakhan, Ivan, Skála, Tomáš, Matvija, Peter, Kraszkiewicz, Piotr, Pawlyta, Mirosława, Vorokhta, Mykhailo, Matolínová, Iva, Libuda, Jörg, Neyman, Konstantin M., Kȩpiński, Leszek

المساهمون: Narodowe Centrum Nauki, Deutsche Forschungsgemeinschaft, Grantov? Agentura Cesk? Republiky, European Cooperation in Science and Technology, Generalitat de Catalunya, Agencia Estatal de Investigaci?n,Ministerio de Ciencia, Innovaci?n y Universidades

المصدر: Chemistry of Materials ; volume 34, issue 17, page 7916-7936 ; ISSN 0897-4756 1520-5002

الاتاحة: http://dx.doi.org/10.1021/acs.chemmater.2c01659
https://pubs.acs.org/doi/pdf/10.1021/acs.chemmater.2c01659

المؤلفون: Quinlivan Domínguez, Jon Eunan, Neyman, Konstantin M., Bruix, Albert

المصدر: Journal of Chemical Physics; 9/7/2022, Vol. 157 Issue 9, p1-11, 11p

مصطلحات موضوعية: PLATINUM, GLOBAL optimization, OXIDATION states, DENSITY functional theory, NANOSTRUCTURED materials, MACHINE learning