Zobrazeno 1 - 10
of 37 006
pro vyhledávání: '"Levitt, A."'
With the aim of progressing toward a practical implementation of an effective quantum-electrodynamics (QED) theory of atoms and molecules, which includes the effects of vacuum polarization through the creation of virtual electron-positron pairs but w
Externí odkaz:
http://arxiv.org/abs/2411.07246
Autor:
Ryan, R. A., Tsai, P. E., Johansen, A. R., Youmans, A., Higginson, D. P., Mitrani, J. M., Adams, C. S., Sutherland, D. A., Levitt, B., Shumlak, U.
Previous measurements of neutron energy using fast plastic scintillators while operating the Fusion Z Pinch Experiment (FuZE) constrained the energy of any yield-producing deuteron beams to less than $4.65 keV$. FuZE has since been operated at increa
Externí odkaz:
http://arxiv.org/abs/2408.05171
We consider the electrons of a molecule in the adiabatic time-dependent density functional theory approximation. We establish the well-posedness of the time evolution and its linear response close to a non-degenerate ground state, and prove the appea
Externí odkaz:
http://arxiv.org/abs/2408.00009
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
Mothers of infants have specific demands in fostering emotional bonds with their children, characterized by dynamics that are different from adult-adult interactions, notably requiring heightened maternal emotional regulation. In this study, we analy
Externí odkaz:
http://arxiv.org/abs/2408.01434
Autor:
Dagys, Laurynas, Korzeczek, Martin C., Parker, Anna J., Eills, James, Blanchard, John W., Bengs, Christian, Levitt, Malcolm H., Knecht, Stephan, Schwartz, Ilai, Plenio, M. B.
Publikováno v:
Sci. Adv. 10, eado0373 (2024)
Parahydrogen-Induced Polarization (PHIP) is a potent technique for generating target molecules with high nuclear spin polarization. The PHIP process involves a chemical reaction between parahydrogen and a target molecule, followed by the transformati
Externí odkaz:
http://arxiv.org/abs/2401.07243
Autor:
Kharzeev, Dmitri E., Levitt, Jake
At low energies, nuclear fusion is strongly affected by electron screening of the Coulomb repulsion among the fusing nuclei. It may thus be possible to catalyze nuclear fusion in molecules (i.e., to fuse specific nuclei in situ) through quantum contr
Externí odkaz:
http://arxiv.org/abs/2311.03492
Autor:
Mikaela L. Follmer, Trevor J. Isner, Yunus H. Ozekin, Claire H. Levitt, Carolyn L. Burek, Richard K. P. Benninger, Emily Anne Bates
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-19 (2024)
Abstract Bone Morphogenetic Protein (BMP) signaling is essential for craniofacial development, though little is known about the mechanisms that govern BMP secretion. We show that depolarization induces calcium-dependent BMP4 release from mouse embryo
Externí odkaz:
https://doaj.org/article/10147660be784b15b35e0a438fc49f2c
Autor:
Assegid Hellebo, Andre Pascal Kengne, Amarech Obse, Naomi Levitt, Bronwyn Myers, Susan Cleary, Olufunke Alaba
Publikováno v:
BMC Public Health, Vol 24, Iss 1, Pp 1-10 (2024)
Abstract Objective Diabetes is an incapacitating condition affecting millions of people in South Africa. Maintaining optimal glycaemic control is crucial in preventing diabetes complications, highlighting the importance of diabetes self-care. This st
Externí odkaz:
https://doaj.org/article/5b69bb4511694b8c8bc11f1fba70ca58
Autor:
Soundararajan, Murari, Bacanu, George R., Giustiniano, Francesco, Walkey, Mark C., Hoffman, Gabriela, Carravetta, Marina, Lees, Martin R., Whitby, Richard J., Levitt, Malcolm H.
A new variant of the superconducting fulleride $\mathrm{Rb_{3}C_{60}}$ is presented, with $\mathrm{^{3}He}$ atoms encapsulated in the $\mathrm{C_{60}}$ cages. The $\mathrm{^{3}He}$ nuclei act as sensitive NMR probes embedded in the material. The supe
Externí odkaz:
http://arxiv.org/abs/2308.12812