Zobrazeno 1 - 10
of 2 129
pro vyhledávání: '"Gabellini A"'
Neural network potentials (NNPs) offer a fast and accurate alternative to ab-initio methods for molecular dynamics (MD) simulations but are hindered by the high cost of training data from high-fidelity Quantum Mechanics (QM) methods. Our work introdu
Externí odkaz:
http://arxiv.org/abs/2412.06064
Autor:
Gabellini, Cristian, Shenoy, Nikhil, Thaler, Stephan, Canturk, Semih, McNeela, Daniel, Beaini, Dominique, Bronstein, Michael, Tossou, Prudencio
Machine Learning Interatomic Potentials (MLIPs) are a highly promising alternative to force-fields for molecular dynamics (MD) simulations, offering precise and rapid energy and force calculations. However, Quantum-Mechanical (QM) datasets, crucial f
Externí odkaz:
http://arxiv.org/abs/2411.19629
Autor:
Raiteri, C. M., Villata, M., Carnerero, M. I., Kurtanidze, S. O., Mirzaqulov, D. O., Benítez, E., Bonnoli, G., Carosati, D., Acosta-Pulido, J. A., Agudo, I., Andreeva, T. S., Apolonio, G., Bachev, R., Borman, G. A., Bozhilov, V., Brown, L. F., Carbonell, W., Casadio, C., Chen, W. P., Damljanovic, G., Ehgamberdiev, S. A., Elsaesser, D., Escudero, J., Feige, M., Fuentes, A., Gabellini, D., Gazeas, K., Giroletti, M., Grishina, T. S., Gupta, A. C., Gurwell, M. A., Hagen-Thorn, V. A., Hamed, G. M., Hiriart, D., Hodges, M., ivanidze, R. Z., Ivanov, D. V., Joner, M. D., Jorstad, S. G., Jovanovic, M. D., Kiehlmann, S., Kimeridze, G. N., Kopatskaya, E. N., Kovalev, Yu. A., Kovalev, Y. Y., Kurtanidze, O. M., Kurtenkov, A., Larionova, E. G., Lessing, A., Lin, H. C., López, J. M., Lorey, C., Ludwig, J., Marchili, N., Marchini, A., Marscher, A. P., Matsumoto, K., Max-Moerbeck, W., Mihov, B., Minev, M., Mingaliev, M. G., Modaressi, A., Morozova, D. A., Mortari, F., Mufakharov, T. V., Myserlis, I., Nikolashvili, M. G., Pearson, T. J., Popkov, A. V., Rahimov, I. A., Readhead, A. C. S., Reinhart, D., Reeves, R., Righini, S., Romanov, F. D., Savchenko, S. S., Semkov, E., Shishkina, E. V., Sigua, L. A., Slavcheva-Mihova, L., Sotnikova, Yu. V., Steineke, R., Stojanovic, M., Strigachev, A., Takey, A., Traianou, E., Troitskaya, Yu. V., Troitskiy, I. S., Tsai, A. L., Valcheva, A., Vasilyev, A. A., Verna, G., Vince, O., Vrontaki, K., Weaver, Z. R., Webb, J., Yuldoshev, Q. X., Zaharieva, E., Zhovtan, A. V.
Publikováno v:
A&A 692 (2024) A48
Blazars are beamed active galactic nuclei known for their strong multi-wavelength variability on timescales from years down to minutes. We aim to investigate the suitability of the twisting jet model presented in previous works to explain the multi-w
Externí odkaz:
http://arxiv.org/abs/2410.22319
Autor:
Noutahi, Emmanuel, Gabellini, Cristian, Craig, Michael, Lim, Jonathan S. C, Tossou, Prudencio
Traditional molecular string representations, such as SMILES, often pose challenges for AI-driven molecular design due to their non-sequential depiction of molecular substructures. To address this issue, we introduce Sequential Attachment-based Fragm
Externí odkaz:
http://arxiv.org/abs/2310.10773
Autor:
Beaini, Dominique, Huang, Shenyang, Cunha, Joao Alex, Li, Zhiyi, Moisescu-Pareja, Gabriela, Dymov, Oleksandr, Maddrell-Mander, Samuel, McLean, Callum, Wenkel, Frederik, Müller, Luis, Mohamud, Jama Hussein, Parviz, Ali, Craig, Michael, Koziarski, Michał, Lu, Jiarui, Zhu, Zhaocheng, Gabellini, Cristian, Klaser, Kerstin, Dean, Josef, Wognum, Cas, Sypetkowski, Maciej, Rabusseau, Guillaume, Rabbany, Reihaneh, Tang, Jian, Morris, Christopher, Koutis, Ioannis, Ravanelli, Mirco, Wolf, Guy, Tossou, Prudencio, Mary, Hadrien, Bois, Therence, Fitzgibbon, Andrew, Banaszewski, Błażej, Martin, Chad, Masters, Dominic
Recently, pre-trained foundation models have enabled significant advancements in multiple fields. In molecular machine learning, however, where datasets are often hand-curated, and hence typically small, the lack of datasets with labeled features, an
Externí odkaz:
http://arxiv.org/abs/2310.04292
Autor:
Xie, Chen, Ren, Bin B., Dong, Ruobing, Choquet, Élodie, Vigan, Arthur, Gonzalez, Jean-François, Wagner, Kevin, Fang, Taotao, Ubeira-Gabellini, Maria Giulia
Publikováno v:
A&A 675, L1 (2023)
Radio and near-infrared observations have observed dozens of protoplanetary disks that host spiral arm features. Numerical simulations have shown that companions may excite spiral density waves in protoplanetary disks via companion-disk interaction.
Externí odkaz:
http://arxiv.org/abs/2306.09279
Autor:
Kokori, A., Tsiaras, A., Edwards, B., Jones, A., Pantelidou, G., Tinetti, G., Bewersdorff, L., Iliadou, A., Jongen, Y., Lekkas, G., Nastasi, A., Poultourtzidis, E., Sidiropoulos, C., Walter, F., Wünsche, A., Abraham, R., Agnihotri, V. K., Albanesi, R., Arce-Mansego, E., Arnot, D., Audejean, M., Aumasson, C., Bachschmidt, M., Baj, G., Barroy, P. R., Belinski, A. A., Bennett, D., Benni, P., Bernacki, K., Betti, L., Biagini, A., Bosch, P., Brandebourg, P., Brát, L., Bretton, M., Brincat, S. M., Brouillard, S., Bruzas, A., Bruzzone, A., Buckland, R. A., Caló, M., Campos, F., Carreno, A., Rodrigo, J. -A. Carrion, Casali, R., Casalnuovo, G., Cataneo, M., Chang, C. -M., Changeat, L., Chowdhury, V., Ciantini, R., Cilluffo, M., Coliac, J. -F., Conzo, G., Correa, M., Coulon, G., Crouzet, N., Crow, M. V., Curtis, I., Daniel, D., Dawes, S., Dauchet, B., Deldem, M., Deligeorgopoulos, D., Dransfield, G., Dymock, R., Eenmäe, T., Evans, P., Esseiva, N., Falco, C., Farfán, R. G., Fernández-Lajús, E., Ferratfiat, S., Ferreira, S. L., Ferretti, A., Fiołka, J., Fowler, M., Futcher, S. R., Gabellini, D., Gainey, T., Gaitan, J., Gajdoš, P., García-Sánchez, A., Garlitz, J., Gillier, C., Gison, C., Horta, F. Grau, Grivas, G., Gonzales, J., Gorshanov, D., Guerra, P., Guillot, T., Haswell, C. A., Haymes, T., Hentunen, V. -P., Hills, K., Hose, K., Humbert, T., Hurter, F., Hynek, T., Irzyk, M., Jacobsen, J., Jannetta, A. L., Johnson, K., Jóźwik-Wabik, P., Kaeouach, A. E., Kang, W., Kiiskinen, H., Kim, T., Kivila, Ü., Koch, B., Kolb, U., Kučáková, H., Lai, S. -P., Laloum, D., Lasota, S., Lewis, L. A., Liakos, G. -I., Libotte, F., Lopresti, C., Lomoz, F., Majewski, R., Malcher, A., Mallonn, M., Mannucci, M., Marchini, A., Mari, J. -M., Marino, A., Marino, G., Mario, J. -C., Marquette, J. -B., Martínez-Bravo, F. A., Mašek, M., Matassa, P., Michel, P., Michelet, J., Miller, M., Miny, E., Mollier, T., Molina, D., Monteleone, B., Montigiani, N., Morales-Aimar, M., Mortari, F., Morvan, M., Mugnai, L. V., Murawski, G., Naponiello, L., Naves, R., Naudin, J. -L., Néel, D., Neito, R., Neveu, S., Noschese, A., Öğmen, Y., Ohshima, O., Orbanic, Z., Pace, E. P., Pantacchini, C., Paschalis, N. I., Pereira, C., Peretto, I., Perroud, V., Phillips, M., Pintr, P., Pioppa, J. -B., Plazas, J., Poelarends, A. J., Popowicz, A., Purcell, J., Quinn, N., Raetz, M., Rees, D., Regembal, F., Rocchetto, M., Rocci, P. -F., Rockenbauer, M., Roth, R., Rousselot, L., Rubia, X., Ruocco, N., Russo, E., Salisbury, M., Salvaggio, F., Santos, A., Savage, J., Scaggiante, F., Sedita, D., Shadick, S., Silva, A. F., Sioulas, N., Školník, V., Smith, M., Smolka, M., Solmaz, A., Stanbury, N., Stouraitis, D., Tan, T. -G., Theusner, M., Thurston, G., Tifner, F. -P., Tomacelli, A., Tomatis, A., Trnka, J., Tylšar, M., Valeau, P., Vignes, J. -P., Villa, A., Sureda, A. Vives, Vora, K., Vrašťák, M., Walliang, D., Wenzel, B., Wright, D. E., Zambelli, R., Zhang, M., Zíbar, M.
The ExoClock project has been created with the aim of increasing the efficiency of the Ariel mission. It will achieve this by continuously monitoring and updating the ephemerides of Ariel candidates over an extended period, in order to produce a cons
Externí odkaz:
http://arxiv.org/abs/2209.09673
Autor:
Hammond, Iain, Christiaens, Valentin, Price, Daniel J., Ubeira-Gabellini, Maria Giulia, Baird, Jennifer, Calcino, Josh, Benisty, Myriam, Lodato, Giuseppe, Testi, Leonardo, Pinte, Christophe, Toci, Claudia, Fedele, Davide
We present new high-contrast images in near-infrared wavelengths ($\lambda$ = 1.04, 1.24, 1.62, 2.18 and 3.78$\mu$m) of the young variable star CQ Tau, aiming to constrain the presence of companions in the protoplanetary disc. We reached a Ks-band co
Externí odkaz:
http://arxiv.org/abs/2207.08587
Autor:
Livraghi, Luca, Martella, Francesca, Ghilli, Matteo, Angiolini, Catia, Magnanini, Simonetta, Moretti, Erica, Bengala, Carmelo, Risi, Emanuela, Molinara, Elena, Pazzagli, Ilaria, Malorni, Luca, Donati, Sara, Gabellini, Stefano, Martignetti, Angelo, Giannessi, Piergiorgio, Sanna, Giuseppina, Barellini, Leonardo, Biagioni, Chiara, Boni, Luca, Bianchi, Simonetta, Roncella, Manuela, Biganzoli, Laura
Publikováno v:
In European Journal of Cancer December 2024 213
Autor:
de Almeida, Valéria, Behrens, Stephanie, Boudriot, Emanuel, Campana, Mattia, Dengl, Fanny, Falkai, Peter, Fischer, Laura E., Gabellini, Nadja, Gabriel, Vanessa, Geyer, Thomas, Hanken, Katharina, Hasan, Alkomiet, Hasanaj, Genc, Ioannou, Georgios, Jäger, Iris, de Jonge, Sylvia, Karali, Temmuz, Karch, Susanne, Karslı, Berkhan, Keeser, Daniel, Kern, Christoph, Klimas, Nicole, Krčmář, Lenka, Melcher, Julian, Mortazavi, Matin, Moussiopoulou, Joanna, Neumeier, Karin, Padberg, Frank, Papazov, Boris, Papiol, Sergi, Pingen, Pauline, Pogarell, Oliver, Priglinger, Siegfried, Raabe, Florian J., Roell, Lukas, Rossner, Moritz J., Schmitt, Andrea, Schmölz, Susanne, Schulz, Enrico, Schworm, Benedikt, Wagner, Elias, Wichert, Sven, Yakimov, Vladislav, Zill, Peter, Popovic, David, Xu, Simiao, Schulte, Eva C.
Publikováno v:
In Biological Psychiatry 15 November 2024 96(10):792-803