Extending GPU-Accelerated Gaussian Integrals in the TeraChem Software Package to f Type Orbitals: Implementation and Applications

Autor: Wang, Yuanheng, Hait, Diptarka, Johnson, K. Grace, Fajen, O. Jonathan, Zhang, Juncheng Harry, Guerrero, Rubén D., Martínez, Todd J.

Publikováno v: J. Chem. Phys. 161, 174118 (2024)

The increasing availability of GPUs for scientific computing has prompted interest in accelerating quantum chemical calculations through their use. The complexity of integral kernels for high angular momentum basis functions however often limits the

Externí odkaz: http://arxiv.org/abs/2406.14920

ExoClock Project III: 450 new exoplanet ephemerides from ground and space observations

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

Fungal Endophytes of Moringa (Moringa oleifera L.), Neem (Azadirachta indica) and Lavender (Lavandula angustifolia) and Their Biological Control of Fusarium Wilt of Banana

Autor: Bonface M. Nthuku, Esther W. Kahariri, Johnson K. Kinyua, Evans N. Nyaboga

Publikováno v: Microbiology Research, Vol 14, Iss 4, Pp 2113-2132 (2023)

Fusarium wilt, caused by Fusarium oxysporum f. sp. cubense (Foc), significantly affects the productivity of the banana crop in the field. Currently, there are no effective control measures available, and therefore, there is an urgent need to develop

Externí odkaz: https://doaj.org/article/3cc24a2b33d849edb1100761f855fc5d

Antimicrobial resistance profiles of salmonella spp. and escherichia coli isolated from fresh nile tilapia (oreochromis niloticus) fish marketed for human consumption

Autor: Millicent T. Mumbo, Evans N. Nyaboga, Johnson K. Kinyua, Edward K. Muge, Scholastica G. K. Mathenge, Henry Rotich, Geoffrey Muriira, Bernard Njiraini, Joshua M. Njiru

Publikováno v: BMC Microbiology, Vol 23, Iss 1, Pp 1-18 (2023)

Abstract Background Salmonella spp. and pathogenic strains of Escherichia coli are among the major foodborne zoonotic pathogens. These bacterial pathogens cause human illnesses characterized by hemorrhagic colitis, vomiting, nausea, and other agent-r

Externí odkaz: https://doaj.org/article/3978cacc843b4bd89032fe78fa121933

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