Anna I. Krylov

12 papers Misc 1Journal 11
YearRankTypeTitle / Venue / Authors
2025 J jnl
AIMD-Based Protocols for Modeling Exciplex Fluorescence Spectra and Inter-System Crossing in Photocatalytic Chromophores.
J. Comput. Chem.
Goran Giudetti, Shaama Mallikarjun Sharada, Anna I. Krylov
2024 J jnl
Politicizing science funding undermines public trust in science, academic freedom, and the unbiased generation of knowledge.
Frontiers Res. Metrics Anal.
Igor R. Efimov, Jeffrey S. Flier, Robert P. George, Anna I. Krylov, Luana S. Maroja, Julia Schaletzky, Jay Tanzman, Abigail Thompson
2024 J jnl
Two- and one-photon absorption spectra of aqueous thiocyanate anion highlight the role of symmetry in the condensed phase.
J. Comput. Chem.
Ronit Sarangi, Kaushik D. Nanda, Anna I. Krylov
2023 J jnl
Magnetic exchange interactions in binuclear and tetranuclear iron(III) complexes described by spin-flip DFT and Heisenberg effective Hamiltonians.
J. Comput. Chem.
Saikiran Kotaru, Sven Kähler, Maristella Alessio, Anna I. Krylov
2017 J jnl
Cross-scale efficient tensor contractions for coupled cluster computations through multiple programming model backends.
J. Parallel Distributed Comput.
Khaled Z. Ibrahim, Evgeny Epifanovsky, Samuel Williams, Anna I. Krylov
2017 J jnl
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 node.
J. Comput. Chem.
Ilya A. Kaliman, Anna I. Krylov
2016 J jnl
Reduced-cost sparsity-exploiting algorithm for solving coupled-cluster equations.
J. Comput. Chem.
Jiri Brabec, Chao Yang, Evgeny Epifanovsky, Anna I. Krylov, Esmond Ng
2015 J jnl
New algorithms for iterative matrix-free eigensolvers in quantum chemistry.
J. Comput. Chem.
Dmitry Zuev, Eugene Vecharynski, Chao Yang, Natalie Orms, Anna I. Krylov
2014 Misc conf
Analysis and tuning of libtensor framework on multicore architectures.
HiPC
Khaled Z. Ibrahim, Samuel W. Williams, Evgeny Epifanovsky, Anna I. Krylov
2013 J jnl
Effective fragment potential method in Q-CHEM: A guide for users and developers.
J. Comput. Chem.
Debashree Ghosh, Dmytro Kosenkov, Vitalii Vanovschi, Joanna Flick, Ilya Kaliman, Yihan Shao, Andrew T. B. Gilbert, Anna I. Krylov, Lyudmila V. Slipchenko
2013 J jnl
New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations.
J. Comput. Chem.
Evgeny Epifanovsky, Michael Wormit, Tomasz Kus, Arie Landau, Dmitry Zuev, Kirill Khistyaev, Prashant Manohar, Ilya Kaliman, Andreas Dreuw, Anna I. Krylov
2000 J jnl
Q-Chem 2.0: a high-performance ab initio electronic structure program package.
J. Comput. Chem.
Jing Kong, Christopher A. White, Anna I. Krylov, C. David Sherrill, Ross D. Adamson, Thomas R. Furlani, Michael S. Lee, Aaron M. Lee, Steven R. Gwaltney, Terry R. Adams, Christian Ochsenfeld, Andrew T. B. Gilbert, Gary S. Kedziora, Vitaly A. Rassolov, David R. Maurice, Nikhil Nair, Yihan Shao, Nicholas A. Besley, Paul E. Maslen, Jeremy P. Dombroski, Holger Daschel, Weimin Zhang, Prakashan P. Korambath, Jon Baker, Edward F. C. Byrd, Troy A. Van Voorhis, Manabu Oumi, So Hirata, Chao-Ping Hsu, Naoto Ishikawa, Jan Florián, Arieh Warshel, Benny G. Johnson, Peter M. W. Gill, Martin Head-Gordon, John A. Pople