Zobrazeno 1 - 10
of 2 182
pro vyhledávání: '"Fernandez, Javier A."'
Plastics have become integral to our society due to their durability and water stability, which is achieved through strong intermolecular interactions. However, these properties also make them persistent disruptors of ecological cycles, in contrast w
Externí odkaz:
http://arxiv.org/abs/2410.10909
Autor:
Azarov, Alexander, Fernández, Javier García, Zhao, Junlei, He, Ru, Park, Ji-Hyeon, Jeon, Dae-Woo, Prytz, Øystein, Djurabekova, Flyura, Kuznetsov, Andrej
Disorder-induced ordering and unprecedentedly high radiation tolerance in $\gamma$-phase of gallium oxide is a recent spectacular discovery at the intersection of the fundamental physics and electronic applications. Importantly, by far, these data we
Externí odkaz:
http://arxiv.org/abs/2409.17829
Autor:
Amaro, Rommie, Åqvist, Johan, Bahar, Ivet, Battistini, Federica, Bellaiche, Adam, Beltran, Daniel, Biggin, Philip C., Bonomi, Massimiliano, Bowman, Gregory R., Bryce, Richard, Bussi, Giovanni, Carloni, Paolo, Case, David, Cavalli, Andrea, Chang, Chie-En A., Cheatham III, Thomas E., Cheung, Margaret S., Chipot, Cris, Chong, Lillian T., Choudhary, Preeti, Cisneros, Gerardo Andres, Clementi, Cecilia, Collepardo-Guevara, Rosana, Coveney, Peter, Covino, Roberto, Crawford, T. Daniel, Peraro, Matteo Dal, de Groot, Bert, Delemotte, Lucie, De Vivo, Marco, Essex, Jonathan, Fraternali, Franca, Gao, Jiali, Gelpí, Josep Lluís, Gervasio, Francesco Luigi, Gonzalez-Nilo, Fernando Danilo, Grubmüller, Helmut, Guenza, Marina, Guzman, Horacio V., Harris, Sarah, Head-Gordon, Teresa, Hernandez, Rigoberto, Hospital, Adam, Huang, Niu, Huang, Xuhui, Hummer, Gerhard, Iglesias-Fernández, Javier, Jensen, Jan H., Jha, Shantenu, Jiao, Wanting, Jorgensen, William L., Kamerlin, Shina Caroline Lynn, Khalid, Syma, Laughton, Charles, Levitt, Michael, Limongelli, Vittorio, Lindahl, Erik, Lindorff-Larsen, Kresten, Loverde, Sharon, Lundborg, Magnus, Luo, Yun Lyna, Luque, Francisco Javier, Lynch, Charlotte I., MacKerell, Alexander, Magistrato, Alessandra, Marrink, Siewert J., Martin, Hugh, McCammon, J. Andrew, Merz, Kenneth, Moliner, Vicent, Mulholland, Adrian, Murad, Sohail, Naganathan, Athi N., Nangia, Shikha, Noe, Frank, Noy, Agnes, Oláh, Julianna, O'Mara, Megan, Ondrechen, Mary Jo, Onuchic, José N., Onufriev, Alexey, Osuna, Silvia, Panchenko, Anna R., Pantano, Sergio, Parish, Carol, Parrinello, Michele, Perez, Alberto, Perez-Acle, Tomas, Perilla, Juan R., Pettitt, B. Montgomery, Pietropalo, Adriana, Piquemal, Jean-Philip, Poma, Adolfo, Praprotnik, Matej, Ramos, Maria J., Ren, Pengyu, Reuter, Nathalie, Roitberg, Adrian, Rosta, Edina, Rovira, Carme, Roux, Benoit, Röthlisberger, Ursula, Sanbonmatsu, Karissa Y., Schlick, Tamar, Shaytan, Alexey K., Simmerling, Carlos, Smith, Jeremy C., Sugita, Yuji, Świderek, Katarzyna, Taiji, Makoto, Tao, Peng, Tikhonova, Irina G., Tirado-Rives, Julian, Tunón, Inaki, Van Der Kamp, Marc W., Van der Spoel, David, Velankar, Sameer, Voth, Gregory A., Wade, Rebecca, Warshel, Ariel, Welborn, Valerie Vaissier, Wetmore, Stacey, Wong, Chung F., Yang, Lee-Wei, Zacharias, Martin, Orozco, Modesto
This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necessity of a collaborative effort to create, establish, and sustain a data
Externí odkaz:
http://arxiv.org/abs/2407.16584
Autor:
Fernandez, Javier, Kordon, Francisco
In this paper we introduce the Integration Problem for principal connections. Just as a principal connection on a principal bundle $\phi:Q\rightarrow M$ may be used to split $TQ$ into horizontal and vertical subbundles, a discrete connection may be u
Externí odkaz:
http://arxiv.org/abs/2407.13614
In this paper we work, first, with forced discrete-time mechanical systems on the configuration space $Q$ and construct closed $2$-forms $\omega^+$ and $\omega^-$ on $Q \times Q$, that are symplectic if and only if the system is regular. For a specia
Externí odkaz:
http://arxiv.org/abs/2403.05305
Autor:
Zhao, Junlei, Fernández, Javier García, Azarov, Alexander, He, Ru, Prytz, Øystein, Nordlund, Kai, Hua, Mengyuan, Djurabekova, Flyura, Kuznetsov, Andrej
Disordering of solids typically leads to amorphization, but polymorph transitions, facilitated by favorable atomic rearrangements, may temporarily help to maintain long-range periodicity in the solid state. In far-from-equilibrium situations, such as
Externí odkaz:
http://arxiv.org/abs/2401.07675
Autor:
Fumanal-Idocin, Javier, Takac, Zdenko, Horanska, Lubomira, Asmus, Thiago da Cruz, Vidaurre, Carmen, Dimuro, Graçaliz, Fernandez, Javier, Bustince, Humberto
Publikováno v:
Fuzzy Sets and Systems 451 (2022): 320-341
Intervals are a popular way to represent the uncertainty related to data, in which we express the vagueness of each observation as the width of the interval. However, when using intervals for this purpose, we need to use the appropriate set of mathem
Externí odkaz:
http://arxiv.org/abs/2312.17012
High-frequency signals were widely studied in the last decade to identify grid and channel conditions in power lines. PLMs operating on the grid's physical layer are capable of transmitting such signals to infer information about the medium. When app
Externí odkaz:
http://arxiv.org/abs/2308.10598
Publikováno v:
J. Phys. A: Math. Theor.(2023) 56 355202
In this paper we propose a process of Lagrangian reduction and reconstruction for symmetric discrete-time mechanical systems acted on by external forces, where the symmetry group action on the configuration manifold turns it into a principal bundle.
Externí odkaz:
http://arxiv.org/abs/2307.13167
Autor:
Azarov, Alexander, Fernández, Javier García, Zhao, Junlei, Djurabekova, Flyura, He, Huan, He, Ru, Prytz, Øystein, Vines, Lasse, Bektas, Umutcan, Chekhonin, Paul, Klingner, Nico, Hlawacek, Gregor, Kuznetsov, Andrej
Publikováno v:
Nature Communications 14, 4855 (2023)
Radiation tolerance is determined as the ability of crystalline materials to withstand the accumulation of the radiation induced disorder. Nevertheless, for sufficiently high fluences, in all by far known semiconductors it ends up with either very hi
Externí odkaz:
http://arxiv.org/abs/2303.13114