Zobrazeno 1 - 10
of 2 397
pro vyhledávání: '"Voorhis, T."'
Autor:
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.
Publikováno v:
J. Chem. Phys., 152, 184102 (2020)
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this
Externí odkaz:
http://arxiv.org/abs/2004.12023
Autor:
Kick M; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA, USA. mkick@mit.edu., Alexander E; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA, USA., Beiersdorfer A; Technical University of Munich, Garching, Germany., Van Voorhis T; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA, USA.
Publikováno v:
Nature communications [Nat Commun] 2024 Sep 12; Vol. 15 (1), pp. 8001. Date of Electronic Publication: 2024 Sep 12.
Autor:
Tran HK; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States., Weisburn LP; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States., Cho M; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States., Weatherly S; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States., Ye HZ; Department of Chemistry, Columbia University, New York City, New York 10027, United States., Van Voorhis T; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2024 Dec 24; Vol. 20 (24), pp. 10912-10921. Date of Electronic Publication: 2024 Dec 09.
Autor:
Nagaya N; Research Laboratory of Electronics, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, 02139, USA.; Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, 02139, USA., Alexiu A; Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, 02139, USA., Perkinson CF; Research Laboratory of Electronics, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, 02139, USA.; Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, 02139, USA., Nix OM; Research Laboratory of Electronics, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, 02139, USA.; Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, 02139, USA., Koh D; Research Laboratory of Electronics, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, 02139, USA., Bawendi MG; Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, 02139, USA., Tisdale WA; Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, 02139, USA., Van Voorhis T; Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, 02139, USA., Baldo MA; Research Laboratory of Electronics, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, 02139, USA.
Publikováno v:
Advanced materials (Deerfield Beach, Fla.) [Adv Mater] 2024 Dec 23, pp. e2415110. Date of Electronic Publication: 2024 Dec 23.
Autor:
Ernzerhof M; Département de Chimie, Université de Montréal, C.P. 6128 Succursale A, Montréal, Québec H3C 3J7, Canada., Van Voorhis T; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States., Staroverov VN; Department of Chemistry, The University of Western Ontario, London, Ontario N6A 5B7, Canada.
Publikováno v:
The journal of physical chemistry. A [J Phys Chem A] 2024 Dec 19; Vol. 128 (50), pp. 10737-10738.
Autor:
Meitei OR; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States., Van Voorhis T; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
Publikováno v:
The journal of physical chemistry letters [J Phys Chem Lett] 2024 Dec 05; Vol. 15 (48), pp. 11992-12000. Date of Electronic Publication: 2024 Nov 25.
Autor:
Byrne AN; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA. lxbyrne@mit.edu., Xue C; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA. lxbyrne@mit.edu., Van Voorhis T; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA. lxbyrne@mit.edu., McGuire BA; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA. lxbyrne@mit.edu.; National Radio Astronomy Observatory, Charlottesville, VA 22903, USA.
Publikováno v:
Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2024 Oct 30; Vol. 26 (42), pp. 26734-26747. Date of Electronic Publication: 2024 Oct 30.
Autor:
Kim I; Innovation Center, Samsung Electronics, Hwaseong 18448, Republic of Korea.; Department of Chemistry, Massachusetts Institute of Technology (MIT), Cambridge, Massachusetts 02139, United States., Jeong D; Innovation Center, Samsung Electronics, Hwaseong 18448, Republic of Korea., Weisburn LP; Department of Chemistry, Massachusetts Institute of Technology (MIT), Cambridge, Massachusetts 02139, United States., Alexiu A; Department of Chemistry, Massachusetts Institute of Technology (MIT), Cambridge, Massachusetts 02139, United States., Van Voorhis T; Department of Chemistry, Massachusetts Institute of Technology (MIT), Cambridge, Massachusetts 02139, United States., Rhee YM; Department of Chemistry, Korea Advanced Institute of Science and Technology (KAIST), Daejeon 34141, Republic of Korea., Son WJ; Innovation Center, Samsung Electronics, Hwaseong 18448, Republic of Korea., Kim HJ; Innovation Center, Samsung Electronics, Hwaseong 18448, Republic of Korea., Yim J; Innovation Center, Samsung Electronics, Hwaseong 18448, Republic of Korea., Kim S; Samsung Advanced Institute of Technology, Samsung Electronics, Suwon 16678, Republic of Korea., Cho Y; Samsung Advanced Institute of Technology, Samsung Electronics, Suwon 16678, Republic of Korea., Jang I; Innovation Center, Samsung Electronics, Hwaseong 18448, Republic of Korea., Lee S; Innovation Center, Samsung Electronics, Hwaseong 18448, Republic of Korea., Kim DS; Innovation Center, Samsung Electronics, Hwaseong 18448, Republic of Korea.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2024 Oct 22; Vol. 20 (20), pp. 9018-9031. Date of Electronic Publication: 2024 Oct 07.
Autor:
Morgunov A; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States., Tran HK; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States., Meitei OR; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States., Chien YC; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States., Van Voorhis T; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
Publikováno v:
The journal of physical chemistry. A [J Phys Chem A] 2024 Aug 22; Vol. 128 (33), pp. 6989-6998. Date of Electronic Publication: 2024 Aug 09.
Autor:
van Voorhis, T.
Publikováno v:
The Journal of the Operational Research Society, 2002 Jun 01. 53(6), 603-609.
Externí odkaz:
https://www.jstor.org/stable/823003