Anna I. Krylov

According to our database, Anna I. Krylov authored at least 10 papers between 2000 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Two- and one-photon absorption spectra of aqueous thiocyanate anion highlight the role of symmetry in the condensed phase.

Ronit Sarangi, Kaushik D. Nanda, Anna I. Krylov

J. Comput. Chem., May, 2024

2023

Magnetic exchange interactions in binuclear and tetranuclear iron(III) complexes described by spin-flip DFT and Heisenberg effective Hamiltonians.

Saikiran Kotaru, Sven Kähler, Maristella Alessio, Anna I. Krylov

J. Comput. Chem., January, 2023

2017

Cross-scale efficient tensor contractions for coupled cluster computations through multiple programming model backends.

Khaled Z. Ibrahim, Evgeny Epifanovsky, Samuel Williams, Anna I. Krylov

J. Parallel Distributed Comput., 2017

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.

Ilya A. Kaliman, Anna I. Krylov

J. Comput. Chem., 2017

2016

Reduced-cost sparsity-exploiting algorithm for solving coupled-cluster equations.

Jiri Brabec, Chao Yang, Evgeny Epifanovsky, Anna I. Krylov, Esmond Ng

J. Comput. Chem., 2016

2015

New algorithms for iterative matrix-free eigensolvers in quantum chemistry.

Dmitry Zuev, Eugene Vecharynski, Chao Yang, Natalie Orms, Anna I. Krylov

J. Comput. Chem., 2015

2014

Analysis and tuning of libtensor framework on multicore architectures.

Khaled Z. Ibrahim, Samuel W. Williams, Evgeny Epifanovsky, Anna I. Krylov

Proceedings of the 21st International Conference on High Performance Computing, 2014

2013

Effective fragment potential method in Q-CHEM: A guide for users and developers.

Debashree Ghosh, Dmytro Kosenkov, Vitalii Vanovschi, Joanna Flick, Ilya Kaliman, Yihan Shao, Andrew T. B. Gilbert, Anna I. Krylov, Lyudmila V. Slipchenko

J. Comput. Chem., 2013

New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations.

Evgeny Epifanovsky, Michael Wormit, Tomasz Kus, Arie Landau, Dmitry Zuev, Kirill Khistyaev, Prashant Manohar, Ilya Kaliman, Andreas Dreuw, Anna I. Krylov

J. Comput. Chem., 2013

2000

Q-Chem 2.0: a high-performance ab initio electronic structure program package.

Jing Kong, Christopher A. White, Anna I. Krylov, 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

J. Comput. Chem., 2000