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D-Index & Metrics

Chemistry

D-Index
85
Citations
31638
World Ranking
2629
National Ranking
914

Overview

Anna I. Krylov is affiliated with the University of Southern California in the United States. Their research primarily falls within the field of Physics and Astronomy, with a particular focus on Atomic and Molecular Physics, and Optics, as well as Materials Chemistry, Physical and Theoretical Chemistry, Radiation, and Electrical and Electronic Engineering.

The scientist's work spans several main topics, including Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Photochemistry and Electron Transfer Studies, X-ray Spectroscopy and Fluorescence Analysis, Magnetism in coordination complexes, Lanthanide and Transition Metal Complexes, and Molecular Junctions and Nanostructures.

Anna I. Krylov has contributed to numerous recent publications. Selected papers include:

  • "Observation of the fastest chemical processes in the radiolysis of water," 2020, published in Science
  • "DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science," 2022, published in Physical Chemistry Chemical Physics
  • "Spin-flip methods in quantum chemistry," 2020, published in Physical Chemistry Chemical Physics
  • "From orbitals to observables and back," 2020, published in The Journal of Chemical Physics
  • "The ezSpectra suite: An easy-to-use toolkit for spectroscopy modeling," 2021, published in Wiley Interdisciplinary Reviews Computational Molecular Science

Frequent collaborators include Sonia Coriani, Kaushik Nanda, Marta L. Vidal, Pavel Pokhilko, and Valeriu Scutelnic. These coauthors have worked with Krylov on multiple occasions, reflecting ongoing research partnerships.

The scientist has published extensively in several key academic journals, with notable recurrent appearances in The Journal of Chemical Physics, The Journal of Physical Chemistry Letters, Physical Chemistry Chemical Physics, The Journal of Physical Chemistry A, and Journal of Chemical Theory and Computation.

In addition to articles, Anna I. Krylov has contributed to book publications, including a title in "International Congress of Young Scientists" published by LCC MAKS Press eBooks in 2021.

Best Publications

  • Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

    Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert

  • Advances in methods and algorithms in a modern quantum chemistry program package

    Yihan Shao;Laszlo Fusti Molnar;Yousung Jung;Jörg Kussmann

  • Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

    Evgeny Epifanovsky;Andrew T.B. Gilbert;Andrew T.B. Gilbert;Xintian Feng;Xintian Feng;Joonho Lee

  • Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space

    Anna I. Krylov

  • The spin–flip approach within time-dependent density functional theory: Theory and applications to diradicals

    Yihan Shao;Martin Head-Gordon;Anna I. Krylov

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

    Jing Kong;Christopher A. White;Christopher A. White;Anna I. Krylov;Anna I. Krylov;David Sherrill;David Sherrill

  • Size-consistent wave functions for bond-breaking: the equation-of-motion spin-flip model

    Anna I. Krylov

  • Maps of subsurface hydrogen from the high energy neutron detector, Mars Odyssey.

    I. Mitrofanov;D. Anfimov;A. Kozyrev;M. Litvak

  • Singlet-triplet gaps in diradicals by the spin-flip approach: A benchmark study

    Lyudmila V. Slipchenko;Anna I. Krylov

  • Q-Chem: an engine for innovation

    Anna I. Krylov;Peter M.W. Gill

  • Energies and analytic gradients for a coupled-cluster doubles model using variational Brueckner orbitals: Application to symmetry breaking in O4+

    C. David Sherrill;Anna I. Krylov;Edward F. C. Byrd;Martin Head-Gordon

  • Equation-of-motion spin-flip coupled-cluster model with single and double substitutions: Theory and application to cyclobutadiene

    Sergey V. Levchenko;Anna I. Krylov

  • Spin-flip equation-of-motion coupled-cluster electronic structure method for a description of excited states, bond breaking, diradicals, and triradicals.

    Anna I. Krylov

  • Spin-flip configuration interaction: an electronic structure model that is both variational and size-consistent

    Anna I. Krylov

  • Singlet Fission in a Covalently Linked Cofacial Alkynyltetracene Dimer

    Nadezhda V. Korovina;Saptaparna Das;Zachary Nett;Xintian Feng

  • Dyson orbitals for ionization from the ground and electronically excited states within equation-of-motion coupled-cluster formalism: Theory, implementation, and examples

    C. Melania Oana;Anna I. Krylov

  • Size-consistent wave functions for nondynamical correlation energy: The valence active space optimized orbital coupled-cluster doubles model

    Anna I. Krylov;C. David Sherrill;Edward F. C. Byrd;Martin Head-Gordon

  • DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

    Unknown

  • Photoinduced Chemistry in Fluorescent Proteins: Curse or Blessing?

    Atanu Acharya;Alexey M. Bogdanov;Bella L. Grigorenko;Ksenia B. Bravaya

  • General formulation of spin-flip time-dependent density functional theory using non-collinear kernels: theory, implementation, and benchmarks.

    Yves A. Bernard;Yihan Shao;Anna I. Krylov

  • Perturbative corrections to the equation-of-motion spin–flip self-consistent field model: Application to bond-breaking and equilibrium properties of diradicals

    Anna I. Krylov;C. David Sherrill

Frequent Co-Authors

Lyudmila V. Slipchenko
Lyudmila V. Slipchenko Purdue University West Lafayette
Sonia Coriani
Sonia Coriani Technical University of Denmark
Musahid Ahmed
Musahid Ahmed Lawrence Berkeley National Laboratory
Martin Head-Gordon
Martin Head-Gordon University of California, Berkeley
Stephen E. Bradforth
Stephen E. Bradforth University of Southern California
Yihan Shao
Yihan Shao University of Oklahoma
David Casanova
David Casanova Donostia International Physics Center
C. David Sherrill
C. David Sherrill Georgia Institute of Technology
Massimo Olivucci
Massimo Olivucci University of Siena
Stephen R. Leone
Stephen R. Leone University of California, Berkeley

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