Ilya Kaliman

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

Anna I. Krylov, Debashree Ghosh, Dmytro Kosenkov, 2013, J. Comput. Chem..

Hybrid MPI/OpenMP parallelization of the effective fragment potential method in the libefp software library

Ilya Kaliman, Lyudmila V. Slipchenko, 2015, J. Comput. Chem..

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

Anna I. Krylov, Ilya Kaliman, A. Krylov, 2017, J. Comput. Chem..

LIBEFP: A new parallel implementation of the effective fragment potential method as a portable software library

Ilya Kaliman, Lyudmila V. Slipchenko, L. Slipchenko, 2013, J. Comput. Chem..

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

Evgeny Epifanovsky, Anna I. Krylov, Andreas Dreuw, 2013, J. Comput. Chem..

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

Alán Aspuru-Guzik, Michael W. Schmidt, Yan Zhao, 2014, Molecular Physics.

This paper is published as part of a PCCP Themed Issue on: Physical Chemistry of Biomolecular Motors and Machines

Jianhua Xing, Hong Qian, Pei-Zhe Shi, 2009 .