Author

# Vladimir V. Rybkin

Other affiliations: Ivanovo State University of Chemistry and Technology, Karlsruhe Institute of Technology, University of Oslo ...read more

Bio: Vladimir V. Rybkin is an academic researcher from University of Zurich. The author has contributed to research in topics: Atmospheric pressure & Cathode. The author has an hindex of 13, co-authored 67 publications receiving 1783 citations. Previous affiliations of Vladimir V. Rybkin include Ivanovo State University of Chemistry and Technology & Karlsruhe Institute of Technology.

Topics: Atmospheric pressure, Cathode, Plasma, Aqueous solution, Electron

##### Papers published on a yearly basis

##### Papers

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Vilnius University

^{1}, University of Ferrara^{2}, Aarhus University^{3}, University of Oslo^{4}, Royal Institute of Technology^{5}, Electromagnetic Geoservices^{6}, University of Trieste^{7}, Norwegian Computing Center^{8}, University of Southern Denmark^{9}, University of Santiago de Compostela^{10}, Danske Bank^{11}, Ruhr University Bochum^{12}, Norwegian Meteorological Institute^{13}, Norwegian Defence Research Establishment^{14}, University of Auckland^{15}, Norwegian University of Science and Technology^{16}, Information Technology University^{17}, Technical University of Ostrava^{18}, Linköping University^{19}, Karlsruhe Institute of Technology^{20}, ETH Zurich^{21}, Australian National University^{22}, University of Modena and Reggio Emilia^{23}, Cisco Systems, Inc.^{24}, University of Buenos Aires^{25}, University of Copenhagen^{26}, University of Erlangen-Nuremberg^{27}, Kazimierz Wielki University in Bydgoszcz^{28}, National Scientific and Technical Research Council^{29}, University of Valencia^{30}, Paul Sabatier University^{31}, University of Melbourne^{32}, University of Nottingham^{33}, University of Bristol^{34}, CLC bio^{35}, Princeton University^{36}, La Trobe University^{37}, Clemson University^{38}TL;DR: Dalton is a powerful general‐purpose program system for the study of molecular electronic structure at the Hartree–Fock, Kohn–Sham, multiconfigurational self‐consistent‐field, Møller–Plesset, configuration‐interaction, and coupled‐cluster levels of theory.

Abstract: Dalton is a powerful general-purpose program system for the study of molecular electronic structure at the Hartree-Fock, Kohn-Sham, multiconfigurational self-consistent-field, MOller-Plesset, confi ...

1,212 citations

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University of Paderborn

^{1}, University of Zurich^{2}, Lawrence Berkeley National Laboratory^{3}, IBM^{4}, McGill University^{5}, ETH Zurich^{6}, Victoria University, Australia^{7}, Aalto University^{8}, University of Regensburg^{9}, University of Lincoln^{10}, Intel^{11}, Pacific Northwest National Laboratory^{12}, University of Insubria^{13}, Bosch^{14}, Science and Technology Facilities Council^{15}, Paul Scherrer Institute^{16}TL;DR: CP2K as discussed by the authors is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular, and biological systems, especially aimed at massively parallel and linear-scaling electronic structure methods and state-of-the-art ab initio molecular dynamics simulations.

Abstract: CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular, and biological systems. It is especially aimed at massively parallel and linear-scaling electronic structure methods and state-of-the-art ab initio molecular dynamics simulations. Excellent performance for electronic structure calculations is achieved using novel algorithms implemented for modern high-performance computing systems. This review revisits the main capabilities of CP2K to perform efficient and accurate electronic structure simulations. The emphasis is put on density functional theory and multiple post–Hartree–Fock methods using the Gaussian and plane wave approach and its augmented all-electron extension.

938 citations

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University of Paderborn

^{1}, University of Zurich^{2}, Lawrence Berkeley National Laboratory^{3}, IBM^{4}, McGill University^{5}, ETH Zurich^{6}, Victoria University, Australia^{7}, Aalto University^{8}, University of Regensburg^{9}, University of Lincoln^{10}, Intel^{11}, Pacific Northwest National Laboratory^{12}, University of Insubria^{13}, Bosch^{14}, Science and Technology Facilities Council^{15}, Paul Scherrer Institute^{16}TL;DR: This review revisits the main capabilities of CP2K to perform efficient and accurate electronic structure simulations and puts the emphasis on density functional theory and multiple post-Hartree-Fock methods using the Gaussian and plane wave approach and its augmented all-electron extension.

Abstract: CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular and biological systems. It is especially aimed at massively-parallel and linear-scaling electronic structure methods and state-of-the-art ab-initio molecular dynamics simulations. Excellent performance for electronic structure calculations is achieved using novel algorithms implemented for modern high-performance computing systems. This review revisits the main capabilities of CP2k to perform efficient and accurate electronic structure simulations. The emphasis is put on density functional theory and multiple post-Hartree-Fock methods using the Gaussian and plane wave approach and its augmented all-electron extension.

632 citations

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TL;DR: This first molecular dynamics simulation of the bulk hydrated electron based on correlated wave‐function theory provides conclusive evidence in favor of a persistent tetrahedral cavity made up by four water molecules, and against the existence of stable non‐cavity structures.

Abstract: The structure of the hydrated electron is a matter of debate as it evades direct experimental observation owing to the short life time and low concentrations of the species. Herein, the first molecular dynamics simulation of the bulk hydrated electron based on correlated wave-function theory provides conclusive evidence in favor of a persistent tetrahedral cavity made up by four water molecules, and against the existence of stable non-cavity structures. Such a cavity is formed within less than a picosecond after the addition of an excess electron to neat liquid water, with less regular cavities appearing as intermediates. The cavities are bound together by weak H-H bonds, the number of which correlates well with the number of coordinated water molecules, each type of cavity leaving a distinct spectroscopic signature. Simulations predict regions of negative spin density and a gyration radius that are both in agreement with experimental data.

44 citations

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TL;DR: In this article, the results of the chemical composition modeling for an atmospheric pressure DC air discharge with water cathode were reported based on the combined solution of Boltzmann equation for electrons, equations of vibrational kinetics for ground states of N2, O2, H2O and NO molecules, and equations of chemical kinetics and plasma conductivity equation.

Abstract: This paper reports the results of the chemical composition modeling for an atmospheric pressure DC air discharge with water cathode. The modeling was based on the combined solution of Boltzmann equation for electrons, equations of vibrational kinetics for ground states of N2, O2, H2O and NO molecules, equations of chemical kinetics and plasma conductivity equation. Calculations were carried out using experimental values of E/N and gas temperatures for the discharge currents range of 20–50 mA. The effect of H2O concentration on the plasma composition was studied. The main particles of plasma were shown to be O2(a1Δ, b1Σ), O(3P), NO, NO2, HNO3, H2O2 and OH. Effective vibrational temperatures of molecules were higher than gas temperature and they did not depend on the discharge current. Distribution functions on vibrational levels for N2, O2, H2O and NO ground states were non-equilibrium ones.

39 citations

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1,524 citations

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Vilnius University

^{1}, University of Ferrara^{2}, Aarhus University^{3}, University of Oslo^{4}, Royal Institute of Technology^{5}, Electromagnetic Geoservices^{6}, University of Trieste^{7}, Norwegian Computing Center^{8}, University of Southern Denmark^{9}, University of Santiago de Compostela^{10}, Danske Bank^{11}, Ruhr University Bochum^{12}, Norwegian Meteorological Institute^{13}, Norwegian Defence Research Establishment^{14}, University of Auckland^{15}, Norwegian University of Science and Technology^{16}, Information Technology University^{17}, Technical University of Ostrava^{18}, Linköping University^{19}, Karlsruhe Institute of Technology^{20}, ETH Zurich^{21}, Australian National University^{22}, University of Modena and Reggio Emilia^{23}, Cisco Systems, Inc.^{24}, University of Buenos Aires^{25}, University of Copenhagen^{26}, University of Erlangen-Nuremberg^{27}, Kazimierz Wielki University in Bydgoszcz^{28}, National Scientific and Technical Research Council^{29}, University of Valencia^{30}, Paul Sabatier University^{31}, University of Melbourne^{32}, University of Nottingham^{33}, University of Bristol^{34}, CLC bio^{35}, Princeton University^{36}, La Trobe University^{37}, Clemson University^{38}TL;DR: Dalton is a powerful general‐purpose program system for the study of molecular electronic structure at the Hartree–Fock, Kohn–Sham, multiconfigurational self‐consistent‐field, Møller–Plesset, configuration‐interaction, and coupled‐cluster levels of theory.

Abstract: Dalton is a powerful general-purpose program system for the study of molecular electronic structure at the Hartree-Fock, Kohn-Sham, multiconfigurational self-consistent-field, MOller-Plesset, confi ...

1,212 citations

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University of Minnesota

^{1}, University of Michigan^{2}, Florida State University^{3}, University of Twente^{4}, Queen's University Belfast^{5}, University of California, Berkeley^{6}, University of Belgrade^{7}, University of Bristol^{8}, University of Padua^{9}, University of York^{10}, Osaka University^{11}, Loughborough University^{12}, Leibniz Association^{13}, Brno University of Technology^{14}, Academy of Sciences of the Czech Republic^{15}, Comenius University in Bratislava^{16}, École Polytechnique^{17}, Ulster University^{18}, Clarkson University^{19}, Michigan Technological University^{20}, University of Antwerp^{21}, Lublin University of Technology^{22}, University of Montpellier^{23}, Eindhoven University of Technology^{24}, Max Planck Society^{25}, University of Alberta^{26}, Durham University^{27}, Lawrence Berkeley National Laboratory^{28}, National Institute of Advanced Industrial Science and Technology^{29}, Saint Petersburg State University^{30}TL;DR: A review of the state-of-the-art of this multidisciplinary area and identifying the key research challenges is provided in this paper, where the developments in diagnostics, modeling and further extensions of cross section and reaction rate databases are discussed.

Abstract: Plasma–liquid interactions represent a growing interdisciplinary area of research involving plasma science, fluid dynamics, heat and mass transfer, photolysis, multiphase chemistry and aerosol science. This review provides an assessment of the state-of-the-art of this multidisciplinary area and identifies the key research challenges. The developments in diagnostics, modeling and further extensions of cross section and reaction rate databases that are necessary to address these challenges are discussed. The review focusses on non-equilibrium plasmas.

1,078 citations

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University of Paderborn

^{1}, University of Zurich^{2}, Lawrence Berkeley National Laboratory^{3}, IBM^{4}, McGill University^{5}, ETH Zurich^{6}, Victoria University, Australia^{7}, Aalto University^{8}, University of Regensburg^{9}, University of Lincoln^{10}, Intel^{11}, Pacific Northwest National Laboratory^{12}, University of Insubria^{13}, Bosch^{14}, Science and Technology Facilities Council^{15}, Paul Scherrer Institute^{16}TL;DR: CP2K as discussed by the authors is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular, and biological systems, especially aimed at massively parallel and linear-scaling electronic structure methods and state-of-the-art ab initio molecular dynamics simulations.

Abstract: CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular, and biological systems. It is especially aimed at massively parallel and linear-scaling electronic structure methods and state-of-the-art ab initio molecular dynamics simulations. Excellent performance for electronic structure calculations is achieved using novel algorithms implemented for modern high-performance computing systems. This review revisits the main capabilities of CP2K to perform efficient and accurate electronic structure simulations. The emphasis is put on density functional theory and multiple post–Hartree–Fock methods using the Gaussian and plane wave approach and its augmented all-electron extension.

938 citations

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Renji Hospital

^{1}TL;DR: As a new kind of substrate of IIF, beta( 2)GP I transfectant can be used to detect anti-beta(2)GP-I antibodies and keep the immunofluorescent property of HEp-2 cells in IFANA test and can be use as substrate for routine IFANA detection.

Abstract: OBJECTIVE To establish an indirect immunofluorescent test so as to improve the sensitivity and specificity of examination of antibodies to beta(2)-glycoprotein METHODS Full-length beta(2)GP cDNA was obtained from human hepatocellular cancer cell line HepG2 by RT-PCR and cloned into the mammalian expression vector pEGFP-C1 The recombinant plasmid pEGFP-beta(2)GP was transfected into HEp-2 cells RT-PCR, immunoblotting (IBT), confocal fluorescence microscopy, and indirect immunofluorescent test (IIF) were used to confirm the expression, localization, and antigenicity of fusion protein of green fluorescent protein (GFP) Serum specimens from 19 patients suspected as with secondary antiphospholipid syndrome (APS), 1 patient diagnosed as with primary APS, and 10 normal persons were detected with IIF-IgG-beta(2)GP1, ELISA-IgG-ACL, and ELISA-IgG-beta(2)GP I simultaneously RESULTS (1) The HEp-beta(2)GP I cells thus obtained retained their ability of expression of beta(2)GP-I-GFP for more than ten generations This beta(2)GP-I-GFP showed the antigenicity of beta(2)GP-I with a characteristic feature (2) Seven of the 20 serum specimens from APS patients showed characteristic immunofluorescent pattern No serum specimen from normal persons showed immunofluorescent staining The comparison of results of the three methods showed that the concordance between IIF-IgG-beta(2)GP I and ELISA-IgG-beta(2)GP I was the most perfect (Kappa = 0886) (3) HEp-beta(2)GP I retained the immunofluorescent property of HEp-2 cell CONCLUSION As a new kind of substrate of IIF, beta(2)GP I transfectant can be used to detect anti-beta(2)GP-I antibodies Transfeted HEp-2 cells keep the immunofluorescent property of HEp-2 cells in IFANA test and can be used as substrate for routine IFANA detection

777 citations