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: 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, Martin Del Campo, J, 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, A, Verma, P, Villa, O, Vishnu, A

المصدر: Journal of Chemical Physics. 152(18)

مصطلحات موضوعية: physics.chem-ph, physics.comp-ph, Physical Sciences, Chemical Sciences, Engineering, Chemical Physics

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/21w7f5w7

المؤلفون: Miner, EM, Gul, S, Ricke, ND, Pastor, E, Yano, J, Yachandra, VK, Van Voorhis, T, Dincǎ, M

المصدر: ACS Catalysis. 7(11)

مصطلحات موضوعية: O-2 reduction, electrocatalysis, metal organic framework, porous catalysts, 2D materials, Inorganic Chemistry, Organic Chemistry, Chemical Engineering

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/8fr4t6mt

المؤلفون: van Voorhis, T.

المصدر: The Journal of the Operational Research Society, 2002 Jun 01. 53(6), 603-609.

URL الوصول: https://www.jstor.org/stable/823003

المؤلفون: Davari, N., Åstrand, P. -O., Van Voorhis, T.

المصدر: Molecular Physics ; volume 111, issue 9-11, page 1456-1461 ; ISSN 0026-8976 1362-3028

الاتاحة: https://doi.org/10.1080/00268976.2013.800243
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2013.800243

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, 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., 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, Verma, P., Villa, O., Vishnu, A., Vogiatzis, K. D., Wang, Dunyou, Weare, J. H., Williamson, M. J., Windus, T. L., Woliński, K., Wong, A. T., Wu, Q., Yang, C., Yu, Q., Zacharias, M., Zhang, Zhiyong, Zhao, Yan, Harrison, R. J.

المساهمون: Pacific Northwest National Laboratory, Lawrence Berkeley National Laboratory, Oak Ridge National Laboratory, Brookhaven National Laboratory, Argonne National Laboratory, Intel, University of Texas at Arlington, The State University of New York at Buffalo, Pennsylvania State University, Washington University St. Louis, Maria Curie-Sklodowska University, Iowa State University, Czech Academy of Sciences, University of Tennessee System, Université Libre de Bruxelles, Facebook Inc, Russian Academy of Sciences, University of Minnesota Twin Cities, Jodrell Bank Observatory, University of Washington, Dirac Solutions, Naval Research Laboratory, Georgia Institute of Technology, University of St Andrews, Universidad Autónoma Metropolitana, University of California San Diego, Saarland University, Sandia National Laboratories, RIKEN, University of Illinois at Urbana-Champaign, Multiscale Statistical and Quantum Physics, Australian National University, Florida Institute of Technology, University of Science and Technology of China, Fundação Oswaldo Cruz, Zerene Systems LLC, Cardiff University, Louisiana State University, CAS - Institute of Software, Universidad Nacional Autónoma de México, University of Florida, Los Alamos National Laboratory, University of Oviedo, Prince of Songkla University, University of Utah, Northwestern University, Universal Display Corporation, Universidade Federal de Pernambuco, ICREA, Cray Inc, Massachusetts Institute of Technology, 1QBit, Nvidia, University of Tennessee, Knoxville, Shandong Normal University, University of Cambridge, Advanced Micro Devices, Technische Universität München, Stanford University, Wuhan University of Technology, Stony Brook University, Department of Applied Physics, Aalto-yliopisto, Aalto University

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=od_______661::7fc313527f8047e40c50975776ce5722
https://aaltodoc.aalto.fi/handle/123456789/107419

المؤلفون: Yogesh Surendranath, Jeffery T. Miller, Nicole J. Libretto, Travis Marshall-Roth, Alexandra T. Wrobel, Van Voorhis T, Kevin J. Anderton, Nathan D. Ricke

مصطلحات موضوعية: Bond length, Crystallography, X-ray absorption spectroscopy, biology, Chemistry, biology.protein, Active site, chemistry.chemical_element, Selectivity, Electrochemistry, Electrocatalyst, Platinum, Catalysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af3ffd93bd16be4b4b328e9b8f353beb
https://doi.org/10.26434/chemrxiv.10008545.v2

المؤلفون: Rhee, YM, Richard, RM, Rohrdanz, MA, Steele, RP, Sundstrom, EJ, Woodcock, HL, Zimmerman, PM, Zuev, D, Albrecht, B, Alguire, E, Austin, B, Beran, GJO, Bernard, YA, Berquist, E, Brandhorst, K, Bravaya, KB, Brown, ST, Casanova, D, Chang, CM, Chen, Y, Chien, SH, Closser, KD, Crittenden, DL, Diedenhofen, M, Distasio, RA, Do, H, Dutoi, AD, Edgar, RG, Fatehi, S, Fusti-Molnar, L, Ghysels, A, Golubeva-Zadorozhnaya, A, Gomes, J, Hanson-Heine, MWD, Harbach, PHP, Hauser, AW, Hohenstein, EG, Holden, ZC, Jagau, TC, Ji, H, Kaduk, B, Stein, T, Khistyaev, K, Kim, J, King, RA, Klunzinger, P, Ghosh, D, Feng, X, Deng, J, Behn, A, Kosenkov, D, Kowalczyk, T, Krauter, CM, Lange, AW, Kussmann, J, Wormit, M, Gilbert, ATB, Epifanovsky, E, Gan, Z, Shao, Y, Livshits, E, Laurent, AD, Lawler, KV, Levchenko, SV, Lin, CY, Liu, F, Lao, KU, Sodt, A, Small, DW, Sharma, S, Sharada, SM, Russ, NJ, Rosta, E, Rehn, DR, Prociuk, A, Peverati, R, Perrine, TM, Parkhill, JA, Oneill, DP, Olivares-Amaya, R, Oana, CM, Neuscamman, E, Mayhall, NJ, Maurer, SA, Marenich, AV, Mardirossian, N, Mao, SP, Manzer, SF, Manohar, P, Luenser, A, Lochan, RC, Wang, T, Watson, MA, Goldey, M, Wenzel, J, White, A, Williams, CF, Yang, J, Yeganeh, S, Yost, SR, You, ZQ, Zhang, IY, Zhang, X, Zhao, Y, Horn, PR, Brooks, BR, Chan, GKL, Chipman, DM, Cramer, CJ, Goddard, WA, Gordon, MS, Hehre, WJ, Klamt, A, Schaefer, HF, Schmidt, MW, Jacobson, LD, Sherrill, CD, Truhlar, DG, Warshel, A, Xu, X, Aspuru-Guzik, A, Baer, R, Vydrov, O, Vogt, L, Vanovschi, V, Tsuchimochi, T, Thom, AJW, Su, YC, Stück, D, Bell, AT, Besley, NA, Chai, JD, Dreuw, A, Kaliman, I, Dunietz, BD, Furlani, TR, Gwaltney, SR, Hsu, CP, Jung, Y, Kong, J, Lambrecht, DS, Liang, W, Ochsenfeld, C, Rassolov, VA, Khaliullin, RZ, Slipchenko, LV, Subotnik, JE, Van Voorhis, T, Herbert, JM, Krylov, AI, Gill, PMW, Head-Gordon, M, Kus̈, T, Landau, A, Liu, J, Proynov, EI

مصطلحات موضوعية: electron correlation, electronic structure theory, Q-CHEM, quantum chemistry, software, computational modelling, density functional theory

Relation: Molecular Physics; Molecular Physics, 2015, v. 113, n. 2, p. 184-215; 215; eid_2-s2.0-84919482525; 184; http://hdl.handle.net/10722/231093; 113

الاتاحة: https://doi.org/10.1080/00268976.2014.952696
http://hdl.handle.net/10722/231093

المؤلفون: Park, SS, Hontz, ER, Sun, L, Hendon, CH, Walsh, A, Van Voorhis, T, Dinca, M

المصدر: 1777 ; 1774

مصطلحات موضوعية: Science & Technology, Physical Sciences, Chemistry, Multidisciplinary, BAND-GAP, PHASE-TRANSITION, CHARGE MOBILITY, TTF, CHALCOGENIDES, COMPLEXES, MOLECULES, TRANSPORT, POLYMERS, General Chemistry, 03 Chemical Sciences

Relation: Journal of the American Chemical Society; http://hdl.handle.net/10044/1/41617; http://dx.doi.org/10.1021/ja512437u

الاتاحة: http://hdl.handle.net/10044/1/41617
https://doi.org/10.1021/ja512437u

المؤلفون: Deotare, P. B., Chang, W., Hontz, E., Congreve, D. N., Shi, L., Reusswig, P. D., Modtland, B., Bahlke, M. E., Lee, C. K., Willard, A. P., Bulović, V., Van Voorhis, T., Baldo, M. A.

المصدر: Nature Materials ; volume 14, issue 11, page 1130-1134 ; ISSN 1476-1122 1476-4660

الاتاحة: http://dx.doi.org/10.1038/nmat4424
https://www.nature.com/articles/nmat4424.pdf
https://www.nature.com/articles/nmat4424

المؤلفون: Segal, M., Mulder, C., Celebi, K., Singh, M., Rivoire, K., Difley, S., Van Voorhis, T., Baldo, M. A.

المساهمون: Heremans, Paul L., Muccini, Michele, Meulenkamp, Eric A.

المصدر: SPIE Proceedings ; Organic Optoelectronics and Photonics III ; ISSN 0277-786X

الاتاحة: http://dx.doi.org/10.1117/12.782407

المؤلفون: Khammash, M.H., Salapaka, M.V., Van Voorhis, T.

المصدر: Proceedings of the 37th IEEE Conference on Decision and Control (Cat. No.98CH36171) ; volume 3, page 3315-3320

الاتاحة: http://dx.doi.org/10.1109/cdc.1998.758211
http://xplorestaging.ieee.org/ielx5/6103/16405/00758211.pdf?arnumber=758211

المؤلفون: Pavanello, M., van Voorhis, T., Visscher, L., Neugebauer, J.

المصدر: Pavanello , M , van Voorhis , T , Visscher , L & Neugebauer , J 2013 , ' An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings ' , Journal of Chemical Physics , vol. 138 , no. 5 , 054101 . https://doi.org/10.1063/1.4789418

مصطلحات موضوعية: /dk/atira/pure/sustainabledevelopmentgoals/affordable_and_clean_energy, name=SDG 7 - Affordable and Clean Energy

الاتاحة: https://research.vu.nl/en/publications/efc4e725-0819-441b-89ff-fb29f676e212
https://doi.org/10.1063/1.4789418
https://hdl.handle.net/1871.1/efc4e725-0819-441b-89ff-fb29f676e212

المؤلفون: Difley, S., Beljonne, David, Van Voorhis, T.

المساهمون: S817 - Chimie des matériaux nouveaux, R400 - Institut de Recherche en Science et Ingénierie des Matériaux

المصدر: Journal of the American Chemical Society, 130 (11), 3420-3427 (2008-03-19)

مصطلحات موضوعية: Physical, chemical, mathematical & earth Sciences, Physics, Physique, chimie, mathématiques & sciences de la terre

Relation: urn:issn:0002-7863; https://orbi.umons.ac.be/handle/20.500.12907/24967; info:hdl:20.500.12907/24967; info:pmid:18288836

الاتاحة: https://orbi.umons.ac.be/handle/20.500.12907/24967
https://hdl.handle.net/20.500.12907/24967
https://doi.org/10.1021/ja076125m

المؤلفون: Segal, M., Singh, M., Rivoire, K., Difley, S., Van Voorhis, T., Baldo, M. A.

المصدر: Nature Materials ; volume 6, issue 5, page 374-378 ; ISSN 1476-1122 1476-4660

الاتاحة: http://dx.doi.org/10.1038/nmat1885
https://www.nature.com/articles/nmat1885.pdf
https://www.nature.com/articles/nmat1885

المؤلفون: Shao, Y, Molnar, LF, Jung, Y Jung, Yousung, Kussmann, J, Ochsenfeld, C, Brown, ST, Gilbert, ATB, Slipchenko, LV, Levchenko, SV, O'Neill, DP, DiStasio, RA, Lochan, RC, Wang, T, Beran, GJO, Besley, NA, Herbert, JM, Lin, CY, Van Voorhis, T, Chien, SH, Sodt, A, Steele, RP, Rassolov, VA, Maslen, PE, Korambath, PP, Adamson, RD, Austin, B, Baker, J, Byrd, EFC, Dachsel, H, Doerksen, RJ, Dreuw, A, Dunietz, BD, Dutoi, AD, Furlani, TR, Gwaltney, SR, Heyden, A, Hirata, S, Hsu, CP, Kedziora, G, Khalliulin, RZ, Klunzinger, P, Lee, AM, Lee, MS, Liang, W, Lotan, I, Nair, N, Peters, B, Proynov, EI, Pieniazek, PA, Rhee, YM

الاتاحة: http://hdl.handle.net/10203/90680
https://doi.org/10.1039/b517914a
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=000239251500002&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=395d0a69a77a4892902e43d8987013d5

المؤلفون: Jiang, Y., Mccalley, J.D., Van Voorhis, T.

المصدر: IEEE Transactions on Power Systems ; volume 21, issue 3, page 1191-1200 ; ISSN 0885-8950

الاتاحة: http://dx.doi.org/10.1109/tpwrs.2006.879257
http://xplorestaging.ieee.org/ielx5/59/34850/01664954.pdf?arnumber=1664954

المؤلفون: Al-Khayyal, F.A., Larsen, Christian, Van Voorhis, T.

المصدر: Al-Khayyal , F A , Larsen , C & Van Voorhis , T 1995 , ' A relaxation method for nonconvex quadratically constrained quadratic programs ' , Journal of Global Optimization , vol. 6 , pp. 215-230 .

Relation: https://pure.au.dk/portal/en/publications/b25a9240-5836-11db-b20b-000ea68e967b

الاتاحة: https://pure.au.dk/portal/en/publications/b25a9240-5836-11db-b20b-000ea68e967b

المؤلفون: Khammash, M.H., Salapaka, M.V., Van Voorhis, T.

المصدر: Proceedings of the 37th IEEE Conference on Decision & Control (Cat No98CH36171); 1998, Issue 3, p3315-3315, 1p

المؤلفون: ORVIS, E. E., SPENCER, S. H., RICHARD, J. FRAISE, VAN VOORHIS, T. F., BINGMAN, S. H., OVERMAN, W., MULLINS, H., MARTIN, W. T., ROE, WM. M., DUNN, R. E., FLOWER, ALFRED, GILTNER, W. S.

المصدر: Christian Standard: Devoted to the Restoration of Primitive Christianity-Its Doctrine, Its Ordinances & Its Fruits; 1/13/1872, Vol. 7 Issue 2, p15-15, 1/4p