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1 . Report
Simulating the flight gate assignment problem on a trapped ion quantum computer
저자
by
Chai, Yahui
;
Epifanovsky, Evgeny
;
Jansen, Karl
;
Kaushik, Ananth
;
Kühn, Stefan
.
소스
Open Access (Arxiv)
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7 . Academic Journal
Cross-scale efficient tensor contractions for coupled cluster computations through multiple programming model backends
저자
by
Ibrahim, Khaled Z.
;
Epifanovsky, Evgeny
;
Williams, Samuel
;
Krylov, Anna I.
.
소스
In
Journal of Parallel and Distributed Computing
August 2017 106:92-105
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6 . Academic Journal
An efficient implementation of the GOSTSHYP pressure model by applying shell-bounding Gaussian 1-electron-3-center integral screening.
저자
by
Zeller, Felix
;
Berquist, Eric
;
Epifanovsky, Evgeny
;
Neudecker, Tim
.
소스
Journal of Chemical Physics
. 11/14/2022, Vol. 157 Issue 18, p1-10. 10p.
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6 . Report
Faster Exact Exchange for Solids via occ-RI-K: Application to Combinatorially Optimized Range-Separated Hybrid Functionals for Simple Solids with Pseudopotentials Near the Basis Set Limit
저자
by
Lee, Joonho
;
Rettig, Adam
;
Feng, Xintian
;
Epifanovsky, Evgeny
;
Head-Gordon, Martin
.
소스
Open Access (Arxiv)
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7 . Conference
Performance Evaluation of the Intel Optane DC Memory With Scientific Benchmarks
저자
by
Mironov, Vladimir
;
Chernykh, Igor
;
Kulikov, Igor
;
Moskovsky, Alexander
;
Epifanovsky, Evgeny
, et al.
소스
2019 IEEE/ACM Workshop on Memory Centric High Performance Computing (MCHPC) MCHPC Memory Centric High Performance Computing (MCHPC), 2019 IEEE/ACM Workshop on. :1-6 Nov, 2019
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7 . Report
Approaching the Basis Set Limit in Gaussian-Orbital-Based Periodic Calculations with Transferability: Performance of Pure Density Functionals for Simple Semiconductors
저자
by
Lee, Joonho
;
Feng, Xintian
;
Cunha, Leonardo A.
;
Gonthier, Jerome F.
;
Epifanovsky, Evgeny
, et al.
소스
Open Access (Arxiv)
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7 . Academic Journal
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.
저자
by
Epifanovsky, Evgeny
;
Gilbert, Andrew T. B.
;
Feng, Xintian
;
Lee, Joonho
;
Mao, Yuezhi
, et al.
소스
Journal of Chemical Physics
. 8/28/20221, Vol. 155 Issue 8, p1-59. 59p.
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7 . Academic Journal
Transition states, reaction paths, and thermochemistry using the nuclear–electronic orbital analytic Hessian.
저자
by
Schneider, Patrick E.
;
Tao, Zhen
;
Pavošević, Fabijan
;
Epifanovsky, Evgeny
;
Feng, Xintian
, et al.
소스
Journal of Chemical Physics
. 2/7/2021, Vol. 154 Issue 5, p1-11. 11p.
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7 . Academic Journal
A simplified charge projection scheme for long-range electrostatics in ab initio QM/MM calculations.
저자
by
Pan, Xiaoliang
;
Nam, Kwangho
;
Epifanovsky, Evgeny
;
Simmonett, Andrew C.
;
Rosta, Edina
, et al.
소스
Journal of Chemical Physics
. 1/14/2021, Vol. 154 Issue 2, p1-15. 15p.
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7 . Academic Journal
M-Chem: a modular software package for molecular simulation that spans scientific domains.
저자
by
Witek, Jagna
;
Heindel, Joseph P.
;
Guan, Xingyi
;
Leven, Itai
;
Hao, Hongxia
, et al.
소스
Molecular Physics
. May2023, Vol. 121 Issue 9/10, p1-12. 12p.
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