On machine learning force fields for metallic nanoparticles

Autor: Claudio Zeni, Kevin Rossi, Aldo Glielmo, Francesca Baletto

Publikováno v: Advances in Physics: X, Vol 4, Iss 1 (2019)

Machine learning algorithms have recently emerged as a tool to generate force fields which display accuracies approaching the ones of the ab-initio calculations they are trained on, but are much faster to compute. The enhanced computational speed of

Externí odkaz: https://doaj.org/article/7a3b5dd7cd5d427db62abdb4b7eb379c

Nanoalloy magnetic and optical properties, applications and structures: general discussion

Autor: Christine M. Aikens, Damien Alloyeau, Vincenzo Amendola, Catherine Amiens, Pascal Andreazza, Joost M. Bakker, Francesca Baletto, Stephan Barcikowski, Noelia Barrabés, Michael Bowker, Fuyi Chen, Isaac T. Daniel, Wolfgang E. Ernst, Riccardo Ferrando, Piero Ferrari, Alessandro Fortunelli, Didier Grandjean, Hazar Guesmi, Graham J. Hutchings, Ewald Janssens, Robert M. Jones, Miguel Jose Yacaman, Christian Kuttner, Maria J. Lopez, Éric Marceau, Marcelo M. Mariscal, John McGrady, Christine Mottet, Jaysen Nelayah, Cameron J. Owen, Micha Polak, Jonathan Quinson, Cesare Roncaglia, Rolf Schäfer, Rasmus Svensson, Mona Treguer-Delapierre, Yufei Zhang

Publikováno v: Aikens, CM, Alloyeau, D, Amendola, V, Amiens, C, Andreazza, P, Bakker, J M, Baletto, F, Barcikowski, S, Barrabés, N, Bowker, M, Chen, F, Daniel, I T, Ernst, W E, Ferrando, R, Ferrari, P, Fortunelli, A, Grandjean, D, Guesmi, H, Hutchings, G J, Janssens, E, Jones, R M, Jose Yacaman, M, Kuttner, C, Lopez, M J, Marceau, É, Mariscal, M M, McGrady, J, Mottet, C, Nelayah, J, Owen, C J, Polak, M, Quinson, J, Roncaglia, C, Schäfer, R, Svensson, R, Treguer-Delapierre, M & Zhang, Y 2022, ' Nanoalloy magnetic and optical properties, applications and structures : general discussion ', Faraday Discussions, vol. 242, no. 0, pp. 389-417 . https://doi.org/10.1039/d2fd90087d

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::44c33f10dcef753be36159c9196cc3e8
https://doi.org/10.1039/d2fd90087d

Nanoalloy structures and catalysis part 2:general discussion

Autor: Christine Aikens, Damien Alloyeau, Hakim Amara, Vincenzo Amendola, Catherine Amiens, Pascale Andreazza, Francesca Baletto, Stephan Barcikowski, Michael Bowker, Florent Calvo, Fuyi Chen, Emmanuel Cottancin, Wolfgang E. Ernst, Riccardo Farris, Riccardo Ferrando, Georg Daniel Förster, Alessandro Fortunelli, Alexis Front, Didier Grandjean, Hazar Guesmi, Graham J. Hutchings, Ewald Janssens, Miguel Jose Yacaman, Christian Kuttner, Éric Marceau, Marcelo M. Mariscal, Jette K. Mathiesen, John McGrady, Trang Nguyen, Pinkie Ntola, Cameron J. Owen, Charlie Paris, Micha Polak, Rasmus Svensson, Swathi Swaminathan, Mona Treguer-Delapierre, Jonathan Quinson, Yufei Zhang

Publikováno v: Aikens, C, Alloyeau, D, Amara, H, Amendola, V, Amiens, C, Andreazza, P, Baletto, F, Barcikowski, S, Bowker, M, Calvo, F, Chen, F, Cottancin, E, Ernst, W E, Farris, R, Ferrando, R, Förster, G D, Fortunelli, A, Front, A, Grandjean, D, Guesmi, H, Hutchings, G J, Janssens, E, Jose Yacaman, M, Kuttner, C, Marceau, É, Mariscal, M M, Mathiesen, J K, McGrady, J, Nguyen, T, Ntola, P, Owen, C J, Paris, C, Polak, M, Svensson, R, Swaminathan, S, Treguer-Delapierre, M, Quinson, J & Zhang, Y 2022, ' Nanoalloy structures and catalysis part 2 : general discussion ', Faraday Discussions, vol. 242, no. 0, pp. 212-230 . https://doi.org/10.1039/d2fd90086f

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::459607af019f81dbd3043effdf74f1b9
https://pure.au.dk/portal/da/publications/nanoalloy-structures-and-catalysis-part-2(1572a405-cb6f-4652-a014-b5058fdfa274).html

Theory: general discussion

Autor: Mikhail Sinev, Jayendran Iyer, Michael Claeys, Mzamo Shozi, Christian Reece, Simon A. Kondrat, Philip Rosser Davies, Bo Yang, Nico Fischer, Vivek Sinha, Nora H. de Leeuw, Froze Jameel, Michail Stamatakis, Igor Kowalec, Ali Reza Kamali, Romain Réocreux, Matthew G. Davidson, Megha Anand, Matthew Conway, Peter W. Seavill, David J. Willock, Moritz Wolf, Aram L. Bugaev, Graham J. Hutchings, Richard Catlow, Aleksandra Vojvodic, David Santos-Carballal, Beien Zhu, Peter M. Kraus, Disha Jain, Deniz Uner, Dmitry B. Eremin, Keith Whiston, Justin S. J. Hargreaves, Francesca Baletto

Publikováno v: Faraday Discussions. 229:131-160

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cc4dd6999a3a248634ac04c8512ff54f
https://doi.org/10.1039/d1fd90030g

Bonding Nature between Noble Gases and Small Gold Clusters

Autor: Piero Ferrari, Laia Delgado-Callico, Olga V. Lushchikova, Matias Bejide, Frank J. Wensink, Joost M. Bakker, Francesca Baletto, Ewald Janssens

Publikováno v: Ferrari, P, Delgado-Callico, L, Lushchikova, O V, Bejide, M, Wensink, F J, Bakker, J M, Baletto, F & Janssens, E 2022, ' Bonding Nature between Noble Gases and Small Gold Clusters ', Journal of physical chemistry letters, pp. 4309-4314 . https://doi.org/10.1021/acs.jpclett.2c00738
Journal of Physical Chemistry Letters, 13, 4309-4314
Journal of Physical Chemistry Letters, 13, 19, pp. 4309-4314

Noble gases are usually seen as utterly inert, likewise gold, which is typically conceived as the noblest of all metals. While one may expect that noble gases bind to gold via dispersion interactions only, strong bonds can be formed between noble gas

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::52e3b53b206bdbaf8e8aa32de437711e
https://kclpure.kcl.ac.uk/en/publications/bea75caa-5f06-44f1-860e-9e73a5cb85e5