Dmitry I. Lyakh: search on Z-Library

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1

Domain-specific virtual processors as a portable programming and execution model for parallel computational workloads on modern heterogeneous high-performance computing architectures

Lyakh, Dmitry I.

Journal:

International Journal of Quantum Chemistry

Year:

2019

Language:

english

File:

PDF, 3.79 MB

english, 2019

2

An efficient tensor transpose algorithm for multicore CPU, Intel Xeon Phi, and NVidia Tesla GPU

Lyakh, Dmitry I.

Journal:

Computer Physics Communications

Year:

2015

Language:

english

File:

PDF, 1.51 MB

english, 2015

3

The equation-of-motion coupled cluster method for triple electron attached states

Musiał, Monika, Olszówka, Marta, Lyakh, Dmitry I., Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 732 KB

english, 2012

4

Establishing the quantum supremacy frontier with a 281 Pflop/s simulation

Villalonga, Benjamin, Lyakh, Dmitry, Boixo, Sergio, Neven, Hartmut, Humble, Travis S, Biswas, Rupak, Rieffel, Eleanor, Ho, Alan, Mandra, Salvatore

Journal:

Quantum Science and Technology

Year:

2020

Language:

english

File:

PDF, 2.53 MB

english, 2020

5

Algebraic connectivity analysis in molecular electronic structure theory II: total exponential formulation of second-quantised correlated methods

Lyakh, Dmitry I., Bartlett, Rodney J.

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 1.18 MB

english, 2014

6

Algebraic connectivity analysis in molecular electronic structure theory I: coulomb potential, tensor connectivity, ε -approximation

Lyakh, Dmitry I.

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 503 KB

english, 2012

7

A remark on the disconnected nature of Lagrange equations in the context of a linear-scaling implementation of the coupled-cluster energy gradients

Lyakh, Dmitry I., Bartlett, Rodney J.

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 139 KB

english, 2012

8

Scale-adaptive tensor algebra for local many-body methods of electronic structure theory

Lyakh, Dmitry I.

Journal:

International Journal of Quantum Chemistry

Year:

2014

Language:

english

File:

PDF, 502 KB

english, 2014

9

Multilayer Divide-Expand-Consolidate Coupled-Cluster Method: Demonstrative Calculations of the Adsorption Energy of Carbon Dioxide in Mg-MOF-74 Metal-Organic Framework

Barnes, Ashleigh L., Bykov, Dmytro, Lyakh, Dmitry I., Straatsma, Tjerk P.

Journal:

Journal of Physical Chemistry A

Year:

2019

File:

PDF, 2.76 MB

2019

10

Potential energy curves via double electron-attachment calculations: Dissociation of alkali metal dimers

Musiał, Monika, Kowalska-Szojda, Katarzyna, Lyakh, Dmitry I., Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 700 KB

english, 2013

11

Multireference Nature of Chemistry: The Coupled-Cluster View

Lyakh, Dmitry I., Musiał, Monika, Lotrich, Victor F., Bartlett, Rodney J.

Journal:

Chemical Reviews

Year:

2012

Language:

english

File:

PDF, 3.06 MB

english, 2012

12

Excited states in the multireference state-specific coupled-cluster theory with the complete active space reference

Ivanov, Vladimir V., Adamowicz, Ludwik, Lyakh, Dmitry I.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 351 KB

english, 2006

13

An adaptive coupled-cluster theory: @CC approach

Lyakh, Dmitry I., Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.09 MB

english, 2010

14

[IEEE 2017 IEEE International Parallel and Distributed Processing Symposium (IPDPS) - Orlando, FL, USA (2017.5.29-2017.6.2)] 2017 IEEE International Parallel and Distributed Processing Symposium (IPDPS) - Aces4: A Platform for Computational Chemistry Calculations with Extremely Large Block-Sparse Arrays

Sanders, Beverly A., Byrd, Jason N., Jindal, Nakul, Lotrich, Victor F., Lyakh, Dmitry, Perera, Ajith, Bartlett, Rodney J.

Year:

2017

Language:

english

File:

PDF, 883 KB

english, 2017

15

Multilayer Divide-Expand-Consolidate Coupled-Cluster Method: Demonstrative Calculations of the Adsorption Energy of Carbon Dioxide in Mg-MOF-74 Metal-Organic Framework

Barnes, Ashleigh L., Bykov, Dmytro, Lyakh, Dmitry I., Straatsma, Tjerk P.

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 2.76 MB

english, 2019

16

Multireference State-Specific Coupled-Cluster Theory and Multiconfigurationality Index. BH Dissociation

Ivanov, Vladimir V., Adamowicz, Ludwik, Lyakh, Dmitry I.

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2005

Language:

english

File:

PDF, 127 KB

english, 2005

17

A generalization of the state-specific complete-active-space coupled-cluster method for calculating electronic excited states

Lyakh, Dmitry I., Ivanov, Vladimir V., Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 505 KB

english, 2008

18

Validating quantum-classical programming models with tensor network simulations

McCaskey, Alexander, Dumitrescu, Eugene, Chen, Mengsu, Lyakh, Dmitry, Humble, Travis, Chancellor, Nicholas

Journal:

Year:

2018

Language:

english

File:

PDF, 2.24 MB

english, 2018

19

Discontinuities-free complete-active-space state–specific multi–reference coupled cluster theory for describing bond stretching and dissociation

Zaporozhets, Irina A., Ivanov, Vladimir V., Lyakh, Dmitry I., Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.47 MB

english, 2015

20

The ‘tailored’ CCSD(T) description of the automerization of cyclobutadiene

Dmitry I. Lyakh, Victor F. Lotrich, Rodney J. Bartlett

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 531 KB

english, 2011

21

State-specific multireference coupled-cluster theory of molecular electronic excited states

Ivanov, Vladimir V., Lyakh, Dmitry I., Adamowicz, Ludwik

Journal:

Annual Reports Section "C" (Physical Chemistry)

Year:

2011

Language:

english

File:

PDF, 1.42 MB

english, 2011

22

New indices for describing the multi-configurational nature of the coupled cluster wave function

Ivanov, Vladimir V., Lyakh, Dmitry I., Adamowicz *, Ludwik

Journal:

Molecular Physics

Year:

2005

Language:

english

File:

PDF, 184 KB

english, 2005

23

XACC: a system-level software infrastructure for heterogeneous quantumâclassical computing

McCaskey, Alexander J, Lyakh, Dmitry I, Dumitrescu, Eugene F, Powers, Sarah S, Humble, Travis S

Journal:

Quantum Science and Technology

Year:

2020

File:

PDF, 3.64 MB

2020

24

A calculation of spectroscopic parameters for hydrogen fluoride with multi-reference state-specific coupled-cluster method

Tatyana A. Klimenko, Vladimir V. Ivanov, Dmitry I. Lyakh, Ludwik Adamowicz

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 532 KB

english, 2010

25

Automated generation of coupled-cluster diagrams: Implementation in the multireference state-specific coupled-cluster approach with the complete-active-space reference

Lyakh, Dmitry I., Ivanov, Vladimir V., Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 390 KB

english, 2005

26

Multireference State-specific Coupled Cluster Approach with the CAS Reference: Inserting Be into H2

Dmitry I. Lyakh, Vladimir V. Ivanov, Ludwik Adamowicz

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2006

Language:

english

File:

PDF, 139 KB

english, 2006

27

Dissociation of the fluorine molecule: CASCCSD method and other many-particle models

Vladimir V. Ivanov, Ludwik Adamowicz, Dmitry I. Lyakh

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 118 KB

english, 2006

28

Potential energy surface of the electron excited states in the state-specific multi-reference coupled cluster theory. Hydrogen fluoride dissociation

Vladimir V. Ivanov, Ludwik Adamowicz, Dmitry I. Lyakh

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 107 KB

english, 2006

29

Multireference state-specific coupled-cluster methods. State-of-the-art and perspectives

Ivanov, Vladimir V., Lyakh, Dmitry I., Adamowicz, Ludwik

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 699 KB

english, 2009

30

[IEEE 2011 IEEE International Conference on Signal and Image Processing Applications (ICSIPA) - Kuala Lumpur, Malaysia (2011.11.16-2011.11.18)] 2011 IEEE International Conference on Signal and Image Processing Applications (ICSIPA) - GRoM — Generalized robust multichannel featur detector

Smirnov, Pavel, Semenov, Piotr, Lyakh, Mikhail, Chun, Anthony, Gusev, Dmitry, Redkin, Alexander, Srinivasan, Sadagopan

Year:

2011

Language:

english

File:

PDF, 1.86 MB

english, 2011

31

Efficient electronic structure theory via hierarchical scale-adaptive coupled-cluster formalism: I. Theory and computational complexity analysis

Lyakh, Dmitry I.

Journal:

Molecular Physics

Year:

2017

Language:

english

File:

PDF, 999 KB

english, 2017

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