Multireference Nature of Chemistry: The Coupled-Cluster View von Lyakh, Dmitry I, Musiał, Monika, Lotrich, Victor F, Bartlett, Rodney J

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Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures von Pototschnig, Johann V, Papadopoulos, Anastasios, Lyakh, Dmitry I, Repisky, Michal, Halbert, Loïc, Severo Pereira Gomes, André, Jensen, Hans Jørgen Aa, Visscher, Lucas

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An adaptive coupled-cluster theory: @CC approach von Lyakh, Dmitry I., Bartlett, Rodney J.

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An efficient tensor transpose algorithm for multicore CPU, Intel Xeon Phi, and NVidia Tesla GPU von Lyakh, Dmitry I.

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Domain‐specific virtual processors as a portable programming and execution model for parallel computational workloads on modern heterogeneous high‐performance computing architectur... von Lyakh, Dmitry I.

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Quantum Computers for High-Performance Computing von Humble, Travis S., McCaskey, Alexander, Lyakh, Dmitry I., Gowrishankar, Meenambika, Frisch, Albert, Monz, Thomas

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XACC: a system-level software infrastructure for heterogeneous quantum–classical computing von McCaskey, Alexander J, Lyakh, Dmitry I, Dumitrescu, Eugene F, Powers, Sarah S, Humble, Travis S

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Multilayer Divide-Expand-Consolidate Coupled-Cluster Method: Demonstrative Calculations of the Adsorption Energy of Carbon Dioxide in the Mg-MOF-74 Metal–Organic Framework von Barnes, Ashleigh L, Bykov, Dmytro, Lyakh, Dmitry I, Straatsma, Tjerk P

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Potential energy curves via double electron-attachment calculations: dissociation of alkali metal dimers von Musiał, Monika, Kowalska-Szojda, Katarzyna, Lyakh, Dmitry I, Bartlett, Rodney J

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ExaTN: Scalable GPU-Accelerated High-Performance Processing of General Tensor Networks at Exascale von Lyakh, Dmitry I., Nguyen, Thien, Claudino, Daniel, Dumitrescu, Eugene, McCaskey, Alexander J.

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Scale-adaptive tensor algebra for local many-body methods of electronic structure theory von Lyakh, Dmitry I.

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Multireference state-specific coupled-cluster methods. State-of-the-art and perspectives von IVANOV, Vladimir V, LYAKH, Dmitry I, ADAMOWICZ, Ludwik

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The equation-of-motion coupled cluster method for triple electron attached states von Musiał, Monika, Olszówka, Marta, Lyakh, Dmitry I, Bartlett, Rodney J

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A generalization of the state-specific complete-active-space coupled-cluster method for calculating electronic excited states von Lyakh, Dmitry I., Ivanov, Vladimir V., Adamowicz, Ludwik

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Discontinuities-free complete-active-space state-specific multi-reference coupled cluster theory for describing bond stretching and dissociation von Zaporozhets, Irina A, Ivanov, Vladimir V, Lyakh, Dmitry I, Adamowicz, Ludwik

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Automated generation of coupled-cluster diagrams: implementation in the multireference state-specific coupled-cluster approach with the complete-active-space reference von Lyakh, Dmitry I, Ivanov, Vladimir V, Adamowicz, Ludwik

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Excited states in the multireference state-specific coupled-cluster theory with the complete active space reference von Ivanov, Vladimir V., Adamowicz, Ludwik, Lyakh, Dmitry I.

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Parallel quantum computing simulations via quantum accelerator platform virtualization von Claudino, Daniel, Lyakh, Dmitry I., McCaskey, Alexander J.

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The ‘tailored’ CCSD(T) description of the automerization of cyclobutadiene von Lyakh, Dmitry I., Lotrich, Victor F., Bartlett, Rodney J.

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A Backend-agnostic, Quantum-classical Framework for Simulations of Chemistry in C++ von Claudino, Daniel, McCaskey, Alexander J., Lyakh, Dmitry I.

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