Zobrazeno 1 - 10
of 1 185
pro vyhledávání: '"P. Piquemal"'
Autor:
Aguerre, X., Arya, R., Barabash, A., Basharina-Freshville, A., Bongrand, M., Bourgeois, Ch., Boursette, D., Breton, D., Breier, R., Busto, J., Calvez, S., Cerna, C., Ceschia, M., Chauveau, E., Dawson, L., Duchesneau, D., Evans, J., Filosofov, D. V., Girard-Carillo, C., Guillon, B., Granjon, M., Hoballah, M., Hodák, R., Horkley, J., Huber, A., Hussain, H., Jeremie, A., Jullian, S., Kaizer, J., Klimenko, A. A., Kochetov, O., Koňařík, F., Konovalov, S., Křižák, T., Lahaie, A., Lang, K., Lemière, Y., Li, E., Loaiza, P., Maalmi, J., Macko, M., Marquet, C., Mauger, F., Mendl, A., Minotti, A., Morgan, B., Nemchenok, I., Nomachi, M., Palušová, V., Patrick, C., Pape, E., Perrot, F., Petro, M., Pin, A., Piquemal, F., Povinec, P., Pratt, S., Proga, M., Quinn, W., Rahimov, A. V., Ramachers, Y., Riddle, C., Rukhadze, N. I., Saakyan, R., Salazar, R., Sedgbeer, J., Simard, L., Šimkovic, F., Smolnikov, A. A., Söldner-Rembold, S., Štekl, I., Suhonen, J., Tedjditi, H., Thomas, J., Timkin, V., Tretyak, V., Turnbull, G., Vereshchaka, Y., Waters, D., Yumatov, V.
The SuperNEMO experiment is searching for neutrinoless double beta decay of \textsuperscript{82}Se, with the unique combination of a tracking detector and a segmented calorimeter. This feature allows to detect the two electrons emitted in the decay a
Externí odkaz:
http://arxiv.org/abs/2412.18021
Autor:
Gouraud, Nicolaï, Lagardère, Louis, Adjoua, Olivier, Plé, Thomas, Monmarché, Pierre, Piquemal, Jean-Philip
We introduce the Velocity Jumps approach, denoted as JUMP, a new class of Molecular dynamics integrators, replacing the Langevin dynamics by a hybrid model combining a classical Langevin diffusion and a piecewise deterministic Markov process, where t
Externí odkaz:
http://arxiv.org/abs/2412.15073
Autor:
Bouet, R., Busto, J., Cadiou, A., Charpentier, P., Charrier, D., Chapellier, M., Dastgheibi-Fard, A., Druillole, F., Hellmuth, P., Jollet, C., Kaizer, J., Kontul, I., Ray, P. Le, Gros, M., Lautridou, P., Macko, M., Meregaglia, A., Piquemal, F., Povinec, P., Roche, M.
To search for $\beta\beta0\nu$ decay with unprecedented sensitivity, the R2D2 collaboration is developing a radial time projection chamber with a fiducial mass of half a ton of 136Xe at high pressure. The various approaches implemented to eliminate t
Externí odkaz:
http://arxiv.org/abs/2411.03722
Autor:
Hoffmann, Johannes, de Preville, Sophie, Eckmann, Bruno, Lin, Hung-Ju, Herzog, Benedikt, Haddadi, Kamel, Theron, Didier, Gramse, Georg, Richert, Damien, Moran-Meza, Jose, Piquemal, Francois
In this paper, a definition of the gain and added noise of impedance matching networks for scanning microwave microscopy is given. This definition can be used to compare different impedance matching techniques independently of the instrument used to
Externí odkaz:
http://arxiv.org/abs/2409.11207
The stability and non-linearity of a commercial AH 2700A capacitance bridge were studied beyond its specified capabilities using the Thompson-Lampard Calculable Capacitor (TLCC) at LNE. The TLCC allows for continuous variation of measured capacitance
Externí odkaz:
http://arxiv.org/abs/2409.04132
Autor:
Haidar, Mohammad, Adjoua, Olivier, Baddredine, Siwar, Peruzzo, Alberto, Piquemal, Jean-Philip
Due to their non-iterative nature, fixed Unitary Coupled-Cluster (UCC) ans\"atze are attractive for performing quantum chemistry Variational Quantum Eigensolver (VQE) computations as they avoid pre-circuit measurements on a quantum computer. However,
Externí odkaz:
http://arxiv.org/abs/2408.14289
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:
Traore, Diata, Adjoua, Olivier, Feniou, César, Lygatsika, Ioanna-Maria, Maday, Yvon, Posenitskiy, Evgeny, Hammernik, Kerstin, Peruzzo, Alberto, Toulouse, Julien, Giner, Emmanuel, Piquemal, Jean-Philip
Publikováno v:
Communications Chemistry, 2024, 7, 269
Using GPU-accelerated state-vector emulation, we propose to embed a quantum computing ansatz into density-functional theory via density-based basis-set corrections (DBBSC) to obtain quantitative quantum-chemistry results on molecules that would other
Externí odkaz:
http://arxiv.org/abs/2405.11567
Publikováno v:
Journal of Chemical Physics, 2024, 161, 042502
Neural network interatomic potentials (NNPs) have recently proven to be powerful tools to accurately model complex molecular systems while bypassing the high numerical cost of ab-initio molecular dynamics simulations. In recent years, numerous advanc
Externí odkaz:
http://arxiv.org/abs/2405.01491
Autor:
Bouet, R., Busto, J., Cecchini, V., Charpentier, P., Chapellier, M., Dastgheibi-Fard, A., Druillole, F., Jollet, C., Hellmuth, P., Gros, M., Lautridou, P., Meregaglia, A., Navick, X. F., Piquemal, F., Roche, M., Thomas, B.
As part of the R2D2 (Rare Decays with Radial Detector) R&D, the use of a gas detector with a spherical or cylindrical cathode, equipped with a single anode and operating at high pressure, was studied for the search of rare phenomena such as neutrinol
Externí odkaz:
http://arxiv.org/abs/2404.19374