Zobrazeno 1 - 10
of 9 559
pro vyhledávání: '"P, Levitt"'
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:
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
Autor:
Levitt, Jake
Quantum control of nuclear fusion involves engineering quantum coherences in a nuclear wavepacket to accelerate tunneling through the Coulomb barrier and modifying the analytic structure of the $\textit{S}$-matrix to facilitate long-range reactive ca
Externí odkaz:
http://arxiv.org/abs/2308.07417
Autor:
Collins, Harry Harbor, Sabba, Mohamed, Moustafa, Gamal, Legrady, Bonifac, Soundararajan, Murari, Leutzsch, Markus, Levitt, Malcolm H.
The NMR spectroscopy of spin-1/2 nuclei with low gyromagnetic ratio is challenging, due to the low NMR signal strength. Methodology for the rapid acquisition of $^{103}$Rh NMR parameters is demonstrated for the case of the rhodium formate "paddlewhee
Externí odkaz:
http://arxiv.org/abs/2306.17457