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- NWChem: Past, present, and future
Title:
NWChem: Past, present, and future
- PAR ID:
- 10162274
- Author(s) / Creator(s):
- Aprà, E.; Bylaska, E. J.; de Jong, W. A.; Govind, N.; Kowalski, K.; Straatsma, T. P.; Valiev, M.; van Dam, H. 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.more » ; Boschen, J.; Brabec, J.; Bruner, A.; Cauët, E.; Chen, Y.; Chuev, G. N.; Cramer, C. J.; Daily, J.; Deegan, M. J.; Dunning, T. H.; Dupuis, M.; Dyall, K. G.; Fann, G. I.; Fischer, S. A.; Fonari, A.; Früchtl, 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.; Martin del Campo, J.; Mejia-Rodriguez, D.; Moore, J. E.; Mullin, J. M.; Nakajima, T.; Nascimento, D. R.; Nichols, J. A.; Nichols, P. J.; Nieplocha, J.; Otero-de-la-Roza, A.; 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.; 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. « less
- Date Published:
- Journal Name:
- The Journal of Chemical Physics
- Volume:
- 152
- Issue:
- 18
- ISSN:
- 0021-9606
- Page Range / eLocation ID:
- 184102
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1063/5.0004997
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!- Citation Formats
- MLA
Cite: MLA FormatAprà, E., Bylaska, E. J., de Jong, W. A., Govind, N., Kowalski, K., Straatsma, T. P., Valiev, M., van Dam, H. 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., Dunning, T. H., Dupuis, M., Dyall, K. G., Fann, G. I., Fischer, S. A., Fonari, A., Früchtl, 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., Martin del Campo, J., Mejia-Rodriguez, D., Moore, J. E., Mullin, J. M., Nakajima, T., Nascimento, D. R., Nichols, J. A., Nichols, P. J., Nieplocha, J., Otero-de-la-Roza, A., 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., 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., and Harrison, R. J. NWChem: Past, present, and future. Retrieved from https://par.nsf.gov/biblio/10162274. The Journal of Chemical Physics 152.18 Web. doi:10.1063/5.0004997.
- APA
Cite: APA FormatAprà, E., Bylaska, E. J., de Jong, W. A., Govind, N., Kowalski, K., Straatsma, T. P., Valiev, M., van Dam, H. 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., Dunning, T. H., Dupuis, M., Dyall, K. G., Fann, G. I., Fischer, S. A., Fonari, A., Früchtl, 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., Martin del Campo, J., Mejia-Rodriguez, D., Moore, J. E., Mullin, J. M., Nakajima, T., Nascimento, D. R., Nichols, J. A., Nichols, P. J., Nieplocha, J., Otero-de-la-Roza, A., 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., 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. NWChem: Past, present, and future. The Journal of Chemical Physics, 152 (18). Retrieved from https://par.nsf.gov/biblio/10162274. https://doi.org/10.1063/5.0004997
- Chicago
Cite: Chicago FormatAprà, E., Bylaska, E. J., de Jong, W. A., Govind, N., Kowalski, K., Straatsma, T. P., Valiev, M., van Dam, H. 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., Dunning, T. H., Dupuis, M., Dyall, K. G., Fann, G. I., Fischer, S. A., Fonari, A., Früchtl, 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., Martin del Campo, J., Mejia-Rodriguez, D., Moore, J. E., Mullin, J. M., Nakajima, T., Nascimento, D. R., Nichols, J. A., Nichols, P. J., Nieplocha, J., Otero-de-la-Roza, A., 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., 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., and Harrison, R. J. "NWChem: Past, present, and future". The Journal of Chemical Physics 152 (18). Country unknown/Code not available. https://doi.org/10.1063/5.0004997. https://par.nsf.gov/biblio/10162274.
- BibTeX
Cite: BibTeX Format@article{osti_10162274,
place = {Country unknown/Code not available}, title = {NWChem: Past, present, and future}, url = {https://par.nsf.gov/biblio/10162274}, DOI = {10.1063/5.0004997}, abstractNote = {}, journal = {The Journal of Chemical Physics}, volume = {152}, number = {18}, author = {Aprà, E. and Bylaska, E. J. and de Jong, W. A. and Govind, N. and Kowalski, K. and Straatsma, T. P. and Valiev, M. and van Dam, H. J. and Alexeev, Y. and Anchell, J. and Anisimov, V. and Aquino, F. W. and Atta-Fynn, R. and Autschbach, J. and Bauman, N. P. and Becca, J. C. and Bernholdt, D. E. and Bhaskaran-Nair, K. and Bogatko, S. and Borowski, P. and Boschen, J. and Brabec, J. and Bruner, A. and Cauët, E. and Chen, Y. and Chuev, G. N. and Cramer, C. J. and Daily, J. and Deegan, M. J. and Dunning, T. H. and Dupuis, M. and Dyall, K. G. and Fann, G. I. and Fischer, S. A. and Fonari, A. and Früchtl, H. and Gagliardi, L. and Garza, J. and Gawande, N. and Ghosh, S. and Glaesemann, K. and Götz, A. W. and Hammond, J. and Helms, V. and Hermes, E. D. and Hirao, K. and Hirata, S. and Jacquelin, M. and Jensen, L. and Johnson, B. G. and Jónsson, H. and Kendall, R. A. and Klemm, M. and Kobayashi, R. and Konkov, V. and Krishnamoorthy, S. and Krishnan, M. and Lin, Z. and Lins, R. D. and Littlefield, R. J. and Logsdail, A. J. and Lopata, K. and Ma, W. and Marenich, A. V. and Martin del Campo, J. and Mejia-Rodriguez, D. and Moore, J. E. and Mullin, J. M. and Nakajima, T. and Nascimento, D. R. and Nichols, J. A. and Nichols, P. J. and Nieplocha, J. and Otero-de-la-Roza, A. and Palmer, B. and Panyala, A. and Pirojsirikul, T. and Peng, B. and Peverati, R. and Pittner, J. and Pollack, L. and Richard, R. M. and Sadayappan, P. and Schatz, G. C. and Shelton, W. A. and Silverstein, D. W. and Smith, D. M. and Soares, T. A. and Song, D. and Swart, M. and Taylor, H. L. and Thomas, G. S. and Tipparaju, V. and Truhlar, D. G. and Tsemekhman, K. and Van Voorhis, T. and Vázquez-Mayagoitia, Á. and Verma, P. and Villa, O. and Vishnu, A. and Vogiatzis, K. D. and Wang, D. and Weare, J. H. and Williamson, M. J. and Windus, T. L. and Woliński, K. and Wong, A. T. and Wu, Q. and Yang, C. and Yu, Q. and Zacharias, M. and Zhang, Z. and Zhao, Y. and Harrison, R. J.}, }
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