المؤلفون: Kaur, Harveen, Della Pia, Flaviano, Batatia, Ilyes, Advincula, Xavier R., Shi, Benjamin X., Lan, Jinggang, Csányi, Gábor, Michaelides, Angelos, Kapil, Venkat

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

الوصول الحر: http://arxiv.org/abs/2405.20217Test

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

الوصول الحر: http://arxiv.org/abs/2401.00096Test

المؤلفون: Ravindra, Pavan, Advincula, Xavier R., Schran, Christoph, Michaelides, Angelos, Kapil, Venkat

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

الوصول الحر: http://arxiv.org/abs/2312.01340Test

المؤلفون: Dietrich, Florian M, Advincula, Xavier R, Gobbo, Gianpaolo, Bellucci, Michael A, Salvalaglio, Matteo

المصدر: Journal of Chemical Theory and Computation (2023) (In press).

مصطلحات موضوعية: Computational modeling, Computer simulations, Liquids, Nucleation, Order

وصف الملف: text

العلاقة: https://discovery.ucl.ac.uk/id/eprint/10180767/1/dietrich-et-al-2023-machine-learning-nucleation-collective-variables-with-graph-neural-networks.pdfTest; https://discovery.ucl.ac.uk/id/eprint/10180767Test/

الإتاحة: https://discovery.ucl.ac.uk/id/eprint/10180767/1/dietrich-et-al-2023-machine-learning-nucleation-collective-variables-with-graph-neural-networks.pdfTest
https://discovery.ucl.ac.uk/id/eprint/10180767Test/

المؤلفون: Ravindra, Pavan, Advincula, Xavier R., Schran, Christoph, Michaelides, Angelos, Kapil, Venkat

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

العلاقة: http://arxiv.org/abs/2312.01340Test

الإتاحة: http://arxiv.org/abs/2312.01340Test

المؤلفون: Advincula, Xavier R., Blow, Katarina E., Bonn, Mischa, Bui, Anna T., Cheng, Yafang, Cox, Stephen J., Della Pia, Flaviano, Diebold, Ulrike, Fumagalli, Laura, Goel, Gaurav, Hayton, John A., Jiang, Ying, Kapil, Venkat, Kavokine, Nikita, Koga, Kenichiro, Laage, Damien, Lahav, Meir, Miao, Shurui, Michaelides, Angelos, Montero de Hijes, Pablo, Morgenstern, Karina, Mukherjee, Taritra, O'Neill, Niamh, Pan, Ding, Piaggi, Pablo M., Rempe, Susan L. B., Salvalaglio, Matteo, Salzmann, Christoph G., Sayer, Thomas, Shepelenko, Margarita, Sosso, Gabriele C., Wang, Shaoheng, Webber, Beau, Willard, Adam P., Yao, Yang

المصدر: Faraday Discussions ; volume 249, page 243-266 ; ISSN 1359-6640 1364-5498

الإتاحة: https://doi.org/10.1039/d3fd90064aTest
http://pubs.rsc.org/en/content/articlepdf/2024/FD/D3FD90064ATest

المؤلفون: Advincula, Xavier R., Backus, Ellen H. G., Bonn, Mischa, Cox, Stephen J., Diebold, Ulrike, Fellows, Alexander, Finney, Aaron R., Goel, Gaurav, Hedley, Jonathan, Jiang, Ying, Jin, Di, Kapil, Venkat, Kavokine, Nikita, Klein, Jacob, Laage, Damien, Mohandas, Nandita, Morgenstern, Karina, Mukherjee, Taritra, Olvera de la Cruz, Monica, Orlikowska-Rzeznik, Hanna, Perkin, Susan, Piaggi, Pablo M., Rodellar, Carlos Gomez, Ryan, Paul, Sayer, Thomas, Seyffertitz, Malina, Shepelenko, Margarita, Sosso, Gabriele C., Thämer, Martin, Vilangottunjalil, Aswathi, Walker-Gibbons, Rowan, Wang, Yongkang, Willard, Adam P., Zhang, Peng

المصدر: Faraday Discussions ; volume 249, page 381-407 ; ISSN 1359-6640 1364-5498

الإتاحة: https://doi.org/10.1039/d3fd90065gTest
http://pubs.rsc.org/en/content/articlepdf/2024/FD/D3FD90065GTest

المؤلفون: Advincula, Xavier R., Backus, Ellen H. G., Bartels-Rausch, Thorsten, Benaglia, Simone, Ben Ari, Gil, Blow, Katarina E., Bonn, Mischa, Bui, Anna T., Cox, Stephen J., Della Pia, Flaviano, Diebold, Ulrike, Finney, Aaron R., Franceschi, Giada, Fumagalli, Laura, Goel, Gaurav, Hayton, John A., Holdship, Charlie, Jiang, Ying, Jin, Di, Kapil, Venkat, Kavokine, Nikita, Koga, Kenichiro, Laage, Damien, Lahav, Meir, Miao, Shurui, Michaelides, Angelos, Mohandas, Nandita, Morgenstern, Karina, Mukherjee, Taritra, Nagata, Yuki, Olvera de la Cruz, Monica, Pan, Ding, Piaggi, Pablo M., Rempe, Susan L. B., Ryan, Paul, Salzmann, Christoph G., Sayer, Thomas, Saykally, Richard J., Shepelenko, Margarita, Sosso, Gabriele C., Whale, Thomas F., White, Jessica Jein, Willard, Adam P., Zhang, Peng

المصدر: Faraday Discussions ; volume 249, page 133-161 ; ISSN 1359-6640 1364-5498

الإتاحة: https://doi.org/10.1039/d3fd90063kTest
http://pubs.rsc.org/en/content/articlepdf/2024/FD/D3FD90063KTest

المؤلفون: Dietrich, Florian M., Advincula, Xavier R., Gobbo, Gianpaolo, Bellucci, Michael A., Salvalaglio, Matteo

المصدر: Journal of Chemical Theory & Computation; 2/27/2024, Vol. 20 Issue 4, p1600-1611, 12p