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

URL الوصول: http://arxiv.org/abs/2004.12023

المؤلفون: Agarwal, P.K., Alexander, R.A., Apra, E., Balay, S., Bland, A.S, Colgan, J., D'Azevedo, E.F., Dongarra, J.J., Dunigan Jr., T.H., Fahey, M.R., Fahey, R.A., Geist, A., Gordon, M., Harrison, R.J., Kaushik, D., Krishnakumar, M., Luszczek, P., Mezzacappa, A., Nichols, J.A., Nieplocha, J., Oliker, L., Packwood, T., Pindzola, M.S., Schulthess, T.C., Vetter, J.S., White III, J.B., Windus, T.L., Worley, P.H., Zacharia, T.

مصطلحات موضوعية: Engineering

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/4kx4478w

المؤلفون: Yu, C., Harbich, W., Sementa, L., Ghiringhelli, L., Apra, E., Stener, M., Fortunelli, A., Brune, H.

المصدر: The Journal of Chemical Physics

وصف الملف: application/pdf

Relation: http://hdl.handle.net/11858/00-001M-0000-002D-C758-2; http://hdl.handle.net/21.11116/0000-0000-7469-8; http://hdl.handle.net/21.11116/0000-0000-746A-7

الاتاحة: http://hdl.handle.net/11858/00-001M-0000-002D-C758-2
http://hdl.handle.net/21.11116/0000-0000-7469-8
http://hdl.handle.net/21.11116/0000-0000-746A-7

المؤلفون: Dovesi, R., Roetti, C., Freyria-Fava, C., Apra, E., Saunders, V. R., Harrison, N. M.

المصدر: Philosophical Transactions: Physical Sciences and Engineering, 1992 Nov . 341(1661), 203-210.

URL الوصول: https://www.jstor.org/stable/53928

المؤلفون: Valiev, M., Bylaska, E. J., Govind, N., Kowalski, K., Straatsma, T. P., Van Dam, H. J. J., Wang, D., Nieplocha, J., Apra, E., Windus, Theresa Lynn, de Jong, Wibe A.

Relation: https://doi.org/10.1016/j.cpc.2010.04.018; oai:zenodo.org:1258869

الاتاحة: https://doi.org/10.1016/j.cpc.2010.04.018

المؤلفون: Aprá, E, Harrison, R J, Shelton, W A, Tipparaju, V, Vázquez-Mayagoitia, A

المصدر: Journal of Physics: Conference Series ; volume 180, page 012027 ; ISSN 1742-6596

الاتاحة: http://dx.doi.org/10.1088/1742-6596/180/1/012027
http://stacks.iop.org/1742-6596/180/i=1/a=012027/pdf

المؤلفون: Warnecke, J., Mayer, M., Rohdenburg, M., Ma, X., Liu, J., Grellmann, M., Debnath, S., Azov, V., Apra, E., Young, R., Jenne, C., Johnson, G., Kenttämaa, H., Asmis, K., Laskin, J.

المصدر: Proceedings of the National Academy of Sciences of the United States of America

مصطلحات موضوعية: envir, geo

Relation: http://hdl.handle.net/21.11116/0000-0006-FF44-F

الاتاحة: http://hdl.handle.net/21.11116/0000-0006-FF44-F

المؤلفون: Mackrodt, W. C., Harrison, N. M., Saunders, V. R., Allan, N. L., Towler, M. D., Aprà, E., Dovesi, R.

المصدر: Philosophical Magazine A ; volume 68, issue 4, page 653-666 ; ISSN 0141-8610 1460-6992

الاتاحة: https://doi.org/10.1080/01418619308213989
http://www.tandfonline.com/doi/pdf/10.1080/01418619308213989

المؤلفون: Yu, C., Harbich, W., Sementa, L., Ghiringhelli, L., Aprá, E., Stener, M., Fortunelli, A., Brune, H.

المصدر: The Journal of Chemical Physics

Relation: http://hdl.handle.net/11858/00-001M-0000-002D-F1EC-7

الاتاحة: http://hdl.handle.net/11858/00-001M-0000-002D-F1EC-7

المؤلفون: Aprà, E., Kowalski, K.

المساهمون: Biological and Environmental Research, U.S. Department of Energy

المصدر: Journal of Chemical Theory and Computation ; volume 12, issue 3, page 1129-1138 ; ISSN 1549-9618 1549-9626

الاتاحة: http://dx.doi.org/10.1021/acs.jctc.5b00957
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00957

المؤلفون: Kowalski, Karol, Krishnamoorthy, Sriram, Olson, Ryan M., Tipparaju, Vinod, Aprà, E.

المصدر: Proceedings of 2011 International Conference for High Performance Computing, Networking, Storage and Analysis

الاتاحة: http://dx.doi.org/10.1145/2063384.2063481
https://dl.acm.org/doi/pdf/10.1145/2063384.2063481

المؤلفون: Nieplocha, J., Tipparaju, V., Apra, E.

المصدر: 19th IEEE International Parallel and Distributed Processing Symposium ; page 215b-215b

الاتاحة: http://dx.doi.org/10.1109/ipdps.2005.96
http://xplorestaging.ieee.org/ielx5/9722/30685/01420123.pdf?arnumber=1420123

المؤلفون: Bhaskaran-Nair, K. (Kiran), Brabec, J. (Jiří), Apra, E., van Dam, H. J. J., Pittner, J. (Jiří)

مصطلحات موضوعية: multireference methods, molecular applications, Brillouin-Wogner

Relation: urn:pissn: 0021-9606; urn:eissn: 1089-7690; http://hdl.handle.net/11104/0214132

الاتاحة: https://doi.org/10.1063/1.4747698
http://hdl.handle.net/11104/0214132

المؤلفون: Brabec, J. (Jiří), Pittner, J. (Jiří), van Dam, H. J. J., Apra, E., Kowalski, K.

مصطلحات موضوعية: Blast forum standard, Hilbert-space, State-universal

Relation: urn:pissn: 1549-9618; urn:eissn: 1549-9626; http://hdl.handle.net/11104/0209402

الاتاحة: https://doi.org/10.1021/ct200809m
http://hdl.handle.net/11104/0209402

المؤلفون: Kowalski, K., Olson, R. M., Krishnamoorthy, S., Tipparaju, V., Aprà, E.

المصدر: Journal of Chemical Theory and Computation ; volume 7, issue 7, page 2200-2208 ; ISSN 1549-9618 1549-9626

الاتاحة: http://dx.doi.org/10.1021/ct200217y
https://pubs.acs.org/doi/pdf/10.1021/ct200217y

المؤلفون: Guest, M F, Apra, E, Bernholdt, D E, Fruchtl, Herbert Anton, Harrison, R J, Kendall, R A, Kutteh, R A, Long, X, Nicholas, J B, Nichols, J A, Taylor, H L, Wong, A T, Fann, G I, Littlefield, R J, Nieplocha, J

المساهمون: Dongarra, J, Madsen, K, Wasnjieski, J

المصدر: Guest , M F , Apra , E , Bernholdt , D E , Fruchtl , H A , Harrison , R J , Kendall , R A , Kutteh , R A , Long , X , Nicholas , J B , Nichols , J A , Taylor , H L , Wong , A T , Fann , G I , Littlefield , R J & Nieplocha , J 1996 , Advances in Parallel Distributed Data Software; Computational Chemistry and NWChem . in J Dongarra , K Madsen & J Wasnjieski (eds) , Applied Parallel Computing. Computations ....

Relation: https://research-portal.st-andrews.ac.uk/en/researchoutput/advances-in-parallel-distributed-data-software-computational-chemistry-and-nwchem(5afce006-a321-427c-94e1-abef5e1d6b87).html; urn:ISBN:978-3540609025

الاتاحة: https://research-portal.st-andrews.ac.uk/en/researchoutput/advances-in-parallel-distributed-data-software-computational-chemistry-and-nwchem(5afce006-a321-427c-94e1-abef5e1d6b87).html

المؤلفون: Guest, M. F., Aprà, E., Bernholdt, D. E., Früchtl, H. A., Harrison, R. J., Kendall, R. A., Kutteh, R. A., Long, X., Nicholas, J. B., Nichols, J. A., Taylor, H. L., Wong, A. T., Fann, G. I., Littlefield, R. J., Nieplocha, J.

المصدر: Lecture Notes in Computer Science ; Applied Parallel Computing Computations in Physics, Chemistry and Engineering Science ; page 278-294 ; ISSN 0302-9743 1611-3349 ; ISBN 9783540609025 9783540496700

الاتاحة: http://dx.doi.org/10.1007/3-540-60902-4_31
http://link.springer.com/content/pdf/10.1007/3-540-60902-4_31.pdf

المؤلفون: Guest, M F, Apra, E, Fruchtl, Herbert Anton, Bernholdt, D E, Harrison, R J, Kendall, R A, Kutteh, R A, Long, X, Nicholas, J B, Nichols, J A, Taylor, H L, Wong, A T, Fann, G I, Littlefield, R J, Nieplocha, J

المساهمون: Dongarra, J, Gradinetti, L, Joubert, G, Kowalik, J

المصدر: Guest , M F , Apra , E , Fruchtl , H A , Bernholdt , D E , Harrison , R J , Kendall , R A , Kutteh , R A , Long , X , Nicholas , J B , Nichols , J A , Taylor , H L , Wong , A T , Fann , G I , Littlefield , R J & Nieplocha , J 1995 , Name High Performance Computational Chemistry: NWChem and Fully Distributed Parallel Algorithms . in J Dongarra , L Gradinetti , G Joubert & J Kowalik (eds) , ....

الاتاحة: https://research-portal.st-andrews.ac.uk/en/publications/7d9c0763-ac61-46db-87cd-34bac67afe27

المؤلفون: Fruchtl, Herbert Anton, Bernholdt, D E, Apra, E, Guest, M F, Harrison, R J, Kendall, R A, Kutteh, R A, Nicholas, J B, Nichols, J A, Taylor, H L, Wong, A T, Fann, G I, Littelefield, R J, Nieplocha, J

المصدر: Fruchtl , H A , Bernholdt , D E , Apra , E , Guest , M F , Harrison , R J , Kendall , R A , Kutteh , R A , Nicholas , J B , Nichols , J A , Taylor , H L , Wong , A T , Fann , G I , Littelefield , R J & Nieplocha , J 1995 , NWChem - High performance computational chemistry . in Annual Report of the Center for Advanced Computational Research . Center for Advanced Computational Research .

الاتاحة: https://research-portal.st-andrews.ac.uk/en/publications/3a90ebfe-7695-4437-8863-163e7c76ac47

المؤلفون: Guest, M.F., Aprà, E., Bernholdt, D.E., Früchtl, H.A., Harrison, R.J., Kendall, R.A., Kutteh, R.A., Long, X., Nicholas, J.B., Nichols, J.A., Taylor, H.L., Wong, A.T., Fann, G.I., Littlefield, R.J., Nieplocha, J.

المصدر: High Performance Computing - Technology, Methods and Applications ; Advances in Parallel Computing ; page 395-427 ; ISSN 0927-5452

الاتاحة: http://dx.doi.org/10.1016/s0927-5452(06)80026-2