Ilya Kaliman

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

Yihan Shao, Zhengting Gan, Evgeny Epifanovsky et al. · Molecular Physics · 2014 · 3.1K citations

Natural Sciences, Chemistry, Physics +17

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

Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng et al. · The Journal of Chemical Physics · 2021 · 1.3K citations · Full text

Natural Sciences, Chemistry, Physics +17

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

Evgeny Epifanovsky, Michael Wormit, Tomasz Kuś et al. · Journal of Computational Chemistry · 2013 · 156 citations

Natural Sciences, Chemistry, High-performance Computing +17

Extension of the Effective Fragment Potential Method to Macromolecules

Pradeep Kumar Gurunathan, Atanu Acharya, Debashree Ghosh et al. · The Journal of Physical Chemistry B · 2016 · 84 citations

Natural Sciences, Biophysics, Chemistry +17

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 Kaliman, Anna I. Krylov · Journal of Computational Chemistry · 2017 · 78 citations

Natural Sciences, Chemistry, Computer Science +17