المؤلفون: Williams-Young, DB, Bagusetty, A, de Jong, WA, Doerfler, D, van Dam, HJJ, Vázquez-Mayagoitia, Á, Windus, TL, Yang, C

مصطلحات موضوعية: Distributed Computing, Cognitive Sciences

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/1tv5z93gTest

المؤلفون: Sivaraman, Ganesh, Gallington, Leighanne, Krishnamoorthy, Anand Narayanan, Stan, Marius, Csanyi, Gabor, Vazquez-Mayagoitia, Alvaro, Benmore, Chris J.

المصدر: Phys. Rev. Lett. 126, 156002 (2021)

مصطلحات موضوعية: Condensed Matter - Materials Science, Computer Science - Machine Learning, Physics - Computational Physics

الوصول الحر: http://arxiv.org/abs/2009.04045Test

المؤلفون: Hoja, Johannes, Sandonas, Leonardo Medrano, Ernst, Brian G., Vazquez-Mayagoitia, Alvaro, DiStasio Jr., Robert A., Tkatchenko, Alexandre

المصدر: Sci. Data 8, 43 (2021)

مصطلحات موضوعية: Physics - Chemical Physics

الوصول الحر: http://arxiv.org/abs/2006.15139Test

المؤلفون: Aprà, E., Bylaska, E. J., de Jong, W. A., Govind, N., Kowalski, K., Straatsma, T. P., Valiev, M., van Dam, H. J. J., Alexeev, Y., Anchell, J., Anisimov, V., Aquino, F. W., Atta-Fynn, R., Autschbach, J., Bauman, N. P., Becca, J. C., Bernholdt, D. E., Bhaskaran-Nair, K., Bogatko, S., Borowski, P., Boschen, J., Brabec, J., Bruner, A., Cauët, E., Chen, Y., Chuev, G. N., Cramer, C. J., Daily, J., Deegan, M. J. O., Dunning Jr., T. H., Dupuis, M., Dyall, K. G., Fann, G. I., Fischer, S. A., Fonari, A., Früuchtl, H., Gagliardi, L., Garza, J., Gawande, N., Ghosh, S., Glaesemann, K., Götz, A. W., Hammond, J., Helms, V., Hermes, E. D., Hirao, K., Hirata, S., Jacquelin, M., Jensen, L., Johnson, B. G., Jónsson, H., Kendall, R. A., Klemm, M., Kobayashi, R., Konkov, V., Krishnamoorthy, S., Krishnan, M., Lin, Z., Lins, R. D., Littlefield, R. J., Logsdail, A. J., Lopata, K., Ma, W., Marenich, A. V., del Campo, J. Martin, Mejia-Rodriguez, D., Moore, J. E., Mullin, J. M., Nakajima, T., Nascimento, D. R., Nichols, J. A., Nichols, P. J., Nieplocha, J., de la Roza, A. Otero, Palmer, B., Panyala, A., Pirojsirikul, T., Peng, B., Peverati, R., Pittner, J., Pollack, L., Richard, R. M., Sadayappan, P., Schatz, G. C., Shelton, W. A., Silverstein, D. W., Smith, D. M. A., Soares, T. A., Song, D., Swart, M., Taylor, H. L., Thomas, G. S., Tipparaju, V., Truhlar, D. G., Tsemekhman, K., Van Voorhis, T., Vázquez-Mayagoitia, Á., Verma, P., Villa, O., Vishnu, A., Vogiatzis, K. D., Wang, D., Weare, J. H., Williamson, M. J., Windus, T. L., Woliński, K., Wong, A. T., Wu, Q., Yang, C., Yu, Q., Zacharias, M., Zhang, Z., Zhao, Y., Harrison, R. J.

المصدر: J. Chem. Phys., 152, 184102 (2020)

مصطلحات موضوعية: Physics - Chemical Physics, Physics - Computational Physics

الوصول الحر: http://arxiv.org/abs/2004.12023Test

المؤلفون: Yu, Victor Wen-zhe, Campos, Carmen, Dawson, William, García, Alberto, Havu, Ville, Hourahine, Ben, Huhn, William P, Jacquelin, Mathias, Jia, Weile, Keçeli, Murat, Laasner, Raul, Li, Yingzhou, Lin, Lin, Lu, Jianfeng, Moussa, Jonathan, Roman, Jose E, Vázquez-Mayagoitia, Álvaro, Yang, Chao, Blum, Volker

المصدر: Computer Physics Communications 256 (2020) 107459

مصطلحات موضوعية: Physics - Computational Physics, Condensed Matter - Materials Science

الوصول الحر: http://arxiv.org/abs/1912.13403Test

المؤلفون: Sivaraman, Ganesh, Krishnamoorthy, Anand Narayanan, Baur, Matthias, Holm, Christian, Stan, Marius, Csányi, Gabor, Benmore, Chris, Vázquez-Mayagoitia, Álvaro

المصدر: npj Computational Materials 6 (2020) 1-8

مصطلحات موضوعية: Condensed Matter - Materials Science, Computer Science - Machine Learning, Physics - Computational Physics

الوصول الحر: http://arxiv.org/abs/1910.10254Test

المؤلفون: Tom, Rithwik, Rose, Timothy, Bier, Imanuel, O'Brien, Harriet, Vazquez-Mayagoitia, Alvaro, Marom, Noa

مصطلحات موضوعية: Condensed Matter - Materials Science, Physics - Computational Physics

الوصول الحر: http://arxiv.org/abs/1909.10629Test

المؤلفون: Yu, VWZ, Campos, C, Dawson, W, García, A, Havu, V, Hourahine, B, Huhn, WP, Jacquelin, M, Jia, W, Keçeli, M, Laasner, R, Li, Y, Lin, L, Lu, J, Moussa, J, Roman, JE, Vázquez-Mayagoitia, Á, Yang, C, Blum, V

مصطلحات موضوعية: Electronic structure theory, Density-functional theory, Density-functional tight-binding, Parallel computing, Eigensolver, Density matrix, physics.comp-ph, cond-mat.mtrl-sci, Nuclear & Particles Physics, Mathematical Sciences, Physical Sciences, Information and Computing Sciences

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/341836pkTest

المؤلفون: Aprà, E, Bylaska, EJ, de Jong, WA, Govind, N, Kowalski, K, Straatsma, TP, Valiev, M, van Dam, HJJ, Alexeev, Y, Anchell, J, Anisimov, V, Aquino, FW, Atta-Fynn, R, Autschbach, J, Bauman, NP, Becca, JC, Bernholdt, DE, Bhaskaran-Nair, K, Bogatko, S, Borowski, P, Boschen, J, Brabec, J, Bruner, A, Cauët, E, Chen, Y, Chuev, GN, Cramer, CJ, Daily, J, Deegan, MJO, Dunning, TH, Dupuis, M, Dyall, KG, Fann, GI, Fischer, SA, Fonari, A, Früchtl, H, Gagliardi, L, Garza, J, Gawande, N, Ghosh, S, Glaesemann, K, Götz, AW, Hammond, J, Helms, V, Hermes, ED, Hirao, K, Hirata, S, Jacquelin, M, Jensen, L, Johnson, BG, Jónsson, H, Kendall, RA, Klemm, M, Kobayashi, R, Konkov, V, Krishnamoorthy, S, Krishnan, M, Lin, Z, Lins, RD, Littlefield, RJ, Logsdail, AJ, Lopata, K, Ma, W, Marenich, AV, del Campo, J Martin, Mejia-Rodriguez, D, Moore, JE, Mullin, JM, Nakajima, T, Nascimento, DR, Nichols, JA, Nichols, PJ, Nieplocha, J, Otero-de-la-Roza, A, Palmer, B, Panyala, A, Pirojsirikul, T, Peng, B, Peverati, R, Pittner, J, Pollack, L, Richard, RM, Sadayappan, P, Schatz, GC, Shelton, WA, Silverstein, DW, Smith, DMA, Soares, TA, Song, D, Swart, M, Taylor, HL, Thomas, GS, Tipparaju, V, Truhlar, DG, Tsemekhman, K, Van Voorhis, T, Vázquez-Mayagoitia, Á, Verma, P, Villa, O, Vishnu, A

المصدر: The Journal of Chemical Physics. 152(18)

مصطلحات موضوعية: Chemical Sciences, Physical Sciences, Condensed Matter Physics, Engineering, Chemical Physics, Chemical sciences, Physical sciences

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/9fv1n75bTest
https://escholarship.org/content/qt9fv1n75b/qt9fv1n75b.pdfTest

المؤلفون: Liu, Chi, Huhn, William, Du, Ke-Zhao, Vazquez-Mayagoitia, Alvaro, Dirkes, David, You, Wei, Kanai, Yosuke, Mitzi, David B., Blum, Volker

المصدر: Phys. Rev. Lett. 121, 146401 (2018)

مصطلحات موضوعية: Condensed Matter - Materials Science

الوصول الحر: http://arxiv.org/abs/1803.07230Test