Dmitry Lyakh
Dmitry Lyakh
Computational Scientist
Подтвержден адрес электронной почты в домене ornl.gov
Название
Процитировано
Процитировано
Год
Quantum supremacy using a programmable superconducting processor
F Arute, K Arya, R Babbush, D Bacon, JC Bardin, R Barends, R Biswas, ...
Nature 574 (7779), 505-510, 2019
9762019
Multireference nature of chemistry: The coupled-cluster view
DI Lyakh, M Musiał, VF Lotrich, RJ Bartlett
Chemical reviews 112 (1), 182-243, 2012
3402012
Automated generation of coupled-cluster diagrams: Implementation in the multireference state-specific coupled-cluster approach with the complete-active-space reference
DI Lyakh, VV Ivanov, L Adamowicz
The Journal of chemical physics 122 (2), 024108, 2005
932005
A generalization of the state-specific complete-active-space coupled-cluster method for calculating electronic excited states
DI Lyakh, VV Ivanov, L Adamowicz
The Journal of chemical physics 128 (7), 074101, 2008
552008
Multireference state-specific coupled-cluster methods. State-of-the-art and perspectives
VV Ivanov, DI Lyakh, L Adamowicz
Physical Chemistry Chemical Physics 11 (14), 2355-2370, 2009
522009
An efficient tensor transpose algorithm for multicore CPU, Intel Xeon Phi, and NVidia Tesla GPU
DI Lyakh
Computer Physics Communications 189, 84-91, 2015
512015
The ‘tailored’CCSD (T) description of the automerization of cyclobutadiene
DI Lyakh, VF Lotrich, RJ Bartlett
Chemical Physics Letters 501 (4-6), 166-171, 2011
482011
State-specific multireference complete-active-space coupled-cluster approach versus other quantum chemical methods: dissociation of the N2 molecule
DI Lyakh, VV Ivanov, L Adamowicz
Molecular Physics 105 (10), 1335-1357, 2007
402007
Potential energy curves via double electron-attachment calculations: Dissociation of alkali metal dimers
M Musiał, K Kowalska-Szojda, DI Lyakh, RJ Bartlett
The Journal of Chemical Physics 138 (19), 194103, 2013
382013
Establishing the quantum supremacy frontier with a 281 pflop/s simulation
B Villalonga, D Lyakh, S Boixo, H Neven, TS Humble, R Biswas, ...
Quantum Science and Technology 5 (3), 034003, 2020
342020
An adaptive coupled-cluster theory:@ CC approach
DI Lyakh, RJ Bartlett
The Journal of chemical physics 133 (24), 244112, 2010
342010
Dissociation of the fluorine molecule: CASCCSD method and other many‐particle models
VV Ivanov, L Adamowicz, DI Lyakh
International journal of quantum chemistry 106 (14), 2875-2880, 2006
322006
Multireference State-specific Coupled Cluster Approach with the CAS Reference: Inserting Be into H2
DI Lyakh, VV Ivanov, L Adamowicz
Theoretical Chemistry Accounts 116 (4-5), 427-433, 2006
292006
Excited states in the multireference state-specific coupled-cluster theory with the complete active space reference
VV Ivanov, L Adamowicz, DI Lyakh
The Journal of chemical physics 124 (18), 184302, 2006
262006
New indices for describing the multi-configurational nature of the coupled cluster wave function
VV Ivanov, DI Lyakh, L Adamowicz*
Molecular Physics 103 (15-16), 2131-2139, 2005
222005
The equation-of-motion coupled cluster method for triple electron attached states
M Musiał, M Olszówka, DI Lyakh, RJ Bartlett
The Journal of chemical physics 137 (17), 174102, 2012
192012
Potential energy surface of the electron excited states in the state-specific multi-reference coupled cluster theory. Hydrogen fluoride dissociation
VV Ivanov, L Adamowicz, DI Lyakh
Journal of Molecular Structure: THEOCHEM 768 (1-3), 97-101, 2006
142006
cutt: A high-performance tensor transpose library for cuda compatible gpus
AP Hynninen, DI Lyakh
arXiv preprint arXiv:1705.01598, 2017
132017
Algebraic connectivity analysis in molecular electronic structure theory II: total exponential formulation of second-quantised correlated methods
DI Lyakh, RJ Bartlett
Molecular Physics 112 (2), 213-260, 2014
132014
Validating quantum-classical programming models with tensor network simulations
A McCaskey, E Dumitrescu, M Chen, D Lyakh, T Humble
PloS one 13 (12), e0206704, 2018
122018
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Статьи 1–20