Anna I. Krylov - researchr alias

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Viewing Publication 1 - 10 from 10

2024

Two- and one-photon absorption spectra of aqueous thiocyanate anion highlight the role of symmetry in the condensed phaseRonit Sarangi, Kaushik D. Nanda, Anna I. Krylov. jcc, 45(12):878-885, May 2024. [doi]

2023

Magnetic exchange interactions in binuclear and tetranuclear iron(III) complexes described by spin-flip DFT and Heisenberg effective HamiltoniansSaikiran Kotaru, Sven Kähler, Maristella Alessio, Anna I. Krylov. jcc, 44(3):367-380, January 2023. [doi]

2017

Cross-scale efficient tensor contractions for coupled cluster computations through multiple programming model backendsKhaled Z. Ibrahim, Evgeny Epifanovsky, Samuel Williams, Anna I. Krylov. jpdc, 106:92-105, 2017. [doi]

New algorithm for tensor contractions on multi-core CPUs, GPUs, and accelerators enables CCSD and EOM-CCSD calculations with over 1000 basis functions on a single compute nodeIlya A. Kaliman, Anna I. Krylov. jcc, 38(11):842-853, 2017. [doi]

2016

Reduced-cost sparsity-exploiting algorithm for solving coupled-cluster equationsJiri Brabec, Chao Yang, Evgeny Epifanovsky, Anna I. Krylov, Esmond Ng. jcc, 37(12):1059-1067, 2016. [doi]

2015

New algorithms for iterative matrix-free eigensolvers in quantum chemistryDmitry Zuev, Eugene Vecharynski, Chao Yang, Natalie Orms, Anna I. Krylov. jcc, 36(5):273-284, 2015. [doi]

2014

Analysis and tuning of libtensor framework on multicore architecturesKhaled Z. Ibrahim, Samuel W. Williams, Evgeny Epifanovsky, Anna I. Krylov. hipc 2014: 1-10 [doi]

2013

2000

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