Krishnamoorthy S - Search Results

1

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 Jr, 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 Á, Verma P, Villa O, Vishnu A, Vogiatzis KD, Wang D, We… See abstract for full author list ➔ Aprà E, et al. Among authors: krishnamoorthy s. J Chem Phys. 2020 May 14;152(18):184102. doi: 10.1063/5.0004997. J Chem Phys. 2020. PMID: 32414274

2

Performance optimization of tensor contraction expressions for many-body methods in quantum chemistry.

Hartono A, Lu Q, Henretty T, Krishnamoorthy S, Zhang H, Baumgartner G, Bernholdt DE, Nooijen M, Pitzer R, Ramanujam J, Sadayappan P. Hartono A, et al. Among authors: krishnamoorthy s. J Phys Chem A. 2009 Nov 12;113(45):12715-23. doi: 10.1021/jp9051215. J Phys Chem A. 2009. PMID: 19888780

3

Active-space completely-renormalized equation-of-motion coupled-cluster formalism: Excited-state studies of green fluorescent protein, free-base porphyrin, and oligoporphyrin dimer.

Kowalski K, Krishnamoorthy S, Villa O, Hammond JR, Govind N. Kowalski K, et al. Among authors: krishnamoorthy s. J Chem Phys. 2010 Apr 21;132(15):154103. doi: 10.1063/1.3385315. J Chem Phys. 2010. PMID: 20423164

4

EOMCC, MRPT, and TDDFT studies of charge transfer processes in mixed-valence compounds: application to the spiro molecule.

Glaesemann KR, Govind N, Krishnamoorthy S, Kowalski K. Glaesemann KR, et al. Among authors: krishnamoorthy s. J Phys Chem A. 2010 Aug 26;114(33):8764-71. doi: 10.1021/jp101761d. J Phys Chem A. 2010. PMID: 20540550

5

Noniterative Multireference Coupled Cluster Methods on Heterogeneous CPU-GPU Systems.

Bhaskaran-Nair K, Ma W, Krishnamoorthy S, Villa O, van Dam HJ, Aprà E, Kowalski K. Bhaskaran-Nair K, et al. Among authors: krishnamoorthy s. J Chem Theory Comput. 2013 Apr 9;9(4):1949-57. doi: 10.1021/ct301130u. Epub 2013 Mar 19. J Chem Theory Comput. 2013. PMID: 26583545

6

Role of Many-Body Effects in Describing Low-Lying Excited States of π-Conjugated Chromophores: High-Level Equation-of-Motion Coupled-Cluster Studies of Fused Porphyrin Systems.

Kowalski K, Olson RM, Krishnamoorthy S, Tipparaju V, Aprà E. Kowalski K, et al. Among authors: krishnamoorthy s. J Chem Theory Comput. 2011 Jul 12;7(7):2200-8. doi: 10.1021/ct200217y. Epub 2011 Jun 16. J Chem Theory Comput. 2011. PMID: 26606489

7

GPU-Based Implementations of the Noniterative Regularized-CCSD(T) Corrections: Applications to Strongly Correlated Systems.

Ma W, Krishnamoorthy S, Villa O, Kowalski K. Ma W, et al. Among authors: krishnamoorthy s. J Chem Theory Comput. 2011 May 10;7(5):1316-27. doi: 10.1021/ct1007247. Epub 2011 Apr 11. J Chem Theory Comput. 2011. PMID: 26610126

8

Downfolding of many-body Hamiltonians using active-space models: Extension of the sub-system embedding sub-algebras approach to unitary coupled cluster formalisms.

Bauman NP, Bylaska EJ, Krishnamoorthy S, Low GH, Wiebe N, Granade CE, Roetteler M, Troyer M, Kowalski K. Bauman NP, et al. Among authors: krishnamoorthy s. J Chem Phys. 2019 Jul 7;151(1):014107. doi: 10.1063/1.5094643. J Chem Phys. 2019. PMID: 31272173

9

Green's function coupled cluster simulation of the near-valence ionizations of DNA-fragments.

Peng B, Kowalski K, Panyala A, Krishnamoorthy S. Peng B, et al. Among authors: krishnamoorthy s. J Chem Phys. 2020 Jan 7;152(1):011101. doi: 10.1063/1.5138658. J Chem Phys. 2020. PMID: 31914770

10

Toward Quantum Computing for High-Energy Excited States in Molecular Systems: Quantum Phase Estimations of Core-Level States.

Bauman NP, Liu H, Bylaska EJ, Krishnamoorthy S, Low GH, Granade CE, Wiebe N, Baker NA, Peng B, Roetteler M, Troyer M, Kowalski K. Bauman NP, et al. Among authors: krishnamoorthy s. J Chem Theory Comput. 2021 Jan 12;17(1):201-210. doi: 10.1021/acs.jctc.0c00909. Epub 2020 Dec 17. J Chem Theory Comput. 2021. PMID: 33332965

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