Evgeny Epifanovsky

发表

Analysis and tuning of libtensor framework on multicore architectures

Samuel Williams, Khaled Z. Ibrahim, Evgeny Epifanovsky, 2014, 2014 21st International Conference on High Performance Computing (HiPC).

Double Precision Is Not Needed for Many-Body Calculations: Emergent Conventional Wisdom.

Evgeny Epifanovsky, Pavel Pokhilko, Anna I Krylov, 2018, Journal of chemical theory and computation.

Double‐buffered, heterogeneous CPU + GPU integral digestion algorithm for single‐excitation calculations involving a large number of excited states

Evgeny Epifanovsky, John M. Herbert, Adrian F. Morrison, 2018, J. Comput. Chem..

Reduced‐cost sparsity‐exploiting algorithm for solving coupled‐cluster equations

Chao Yang, Evgeny Epifanovsky, Anna I. Krylov, 2016, J. Comput. Chem..

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

Samuel Williams, Khaled Z. Ibrahim, Evgeny Epifanovsky, 2017, J. Parallel Distributed Comput..

Performance Evaluation of the Intel Optane DC Memory With Scientific Benchmarks

Evgeny Epifanovsky, Vladimir Mironov, Igor Kulikov, 2019, 2019 IEEE/ACM Workshop on Memory Centric High Performance Computing (MCHPC).

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..

A General Sparse Tensor Framework for Electronic Structure Theory.

Evgeny Epifanovsky, Anna I Krylov, Martin Head-Gordon, 2017, Journal of chemical theory and computation.

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

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

A Fresh Look at Resonances and Complex Absorbing Potentials: Density Matrix-Based Approach.

Evgeny Epifanovsky, Anna I Krylov, Thomas-C Jagau, 2014, The journal of physical chemistry letters.

General implementation of the resolution-of-the-identity and Cholesky representations of electron repulsion integrals within coupled-cluster and equation-of-motion methods: theory and benchmarks.

Evgeny Epifanovsky, Yihan Shao, Anna I Krylov, 2013, The Journal of chemical physics.

Coupled-Cluster Valence-Bond Singles and Doubles for Strongly Correlated Systems: Block-Tensor Based Implementation and Application to Oligoacenes.

Evgeny Epifanovsky, Martin Head-Gordon, David W. Small, 2017, Journal of chemical theory and computation.

Quantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore: 2. Cis-Trans Isomerization in Water.

Evgeny Epifanovsky, Anna I Krylov, I. Polyakov, 2009, Journal of chemical theory and computation.

New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States.

Evgeny Epifanovsky, Anna I Krylov, Sonia Coriani, 2018, Journal of chemical theory and computation.

Quantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore. 1. Electronically Excited and Ionized States of the Anionic Chromophore in the Gas Phase.

Evgeny Epifanovsky, Anna I Krylov, I. Polyakov, 2009, Journal of chemical theory and computation.

Complex absorbing potentials within EOM-CC family of methods: theory, implementation, and benchmarks.

Evgeny Epifanovsky, Yihan Shao, Anna I Krylov, 2014, The Journal of chemical physics.

Four Bases Score a Run: Ab Initio Calculations Quantify a Cooperative Effect of H-Bonding and π-Stacking on the Ionization Energy of Adenine in the AATT Tetramer.

Evgeny Epifanovsky, Anna I Krylov, A. Krylov, 2012, The journal of physical chemistry letters.