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    Accurate Reduced-Cost CCSD(T) Energies: Parallel Implementation, Benchmarks, and Large-Scale Applications by Gyevi-Nagy, László, Kállay, Mihály, Nagy, Péter R

    Published in Journal of chemical theory and computation (09-02-2021)
    “…The accurate and systematically improvable frozen natural orbital (FNO) and natural auxiliary function (NAF) cost-reducing approaches are combined with our…”
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    Journal Article
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    Integral-Direct and Parallel Implementation of the CCSD(T) Method: Algorithmic Developments and Large-Scale Applications by Gyevi-Nagy, László, Kállay, Mihály, Nagy, Péter R

    Published in Journal of chemical theory and computation (14-01-2020)
    “…A completely integral-direct, disk I/O, and network traffic economic coupled-cluster singles, doubles, and perturbative triples [CCSD­(T)] implementation has…”
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    Journal Article
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    Kinetics and mechanisms of thiol-disulfide exchange covering direct substitution and thiol oxidation-mediated pathways by Nagy, Péter

    Published in Antioxidants & redox signaling (01-05-2013)
    “…Disulfides are important building blocks in the secondary and tertiary structures of proteins, serving as inter- and intra-subunit cross links. Disulfides are…”
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    Journal Article
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    Pancancer survival analysis of cancer hallmark genes by Nagy, Ádám, Munkácsy, Gyöngyi, Győrffy, Balázs

    Published in Scientific reports (15-03-2021)
    “…Cancer hallmark genes are responsible for the most essential phenotypic characteristics of malignant transformation and progression. In this study, our aim was…”
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    Journal Article
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    Basis Set Limit CCSD(T) Energies for Extended Molecules via a Reduced-Cost Explicitly Correlated Approach by Kállay, Mihály, Horváth, Réka A., Gyevi-Nagy, László, Nagy, Péter R.

    Published in Journal of chemical theory and computation (10-01-2023)
    “…Several approximations are introduced and tested to reduce the computational expenses of the explicitly correlated coupled-cluster singles and doubles with…”
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    Journal Article
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    Pair density functional theory for excited states of Coulomb systems by Nagy, Á.

    Published in Theoretical chemistry accounts (01-08-2023)
    “…Pair density functional theory is extended to excited states of Coulomb systems. It is shown that the pair density determines the Hamiltonian of the Coulomb…”
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    Journal Article
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    Optimization of the Linear-Scaling Local Natural Orbital CCSD(T) Method: Improved Algorithm and Benchmark Applications by Nagy, Péter R., Samu, Gyula, Kállay, Mihály

    Published in Journal of chemical theory and computation (14-08-2018)
    “…An optimized implementation of the local natural orbital (LNO) coupled-cluster (CC) with single-, double-, and perturbative triple excitations [LNO–CCSD­(T)]…”
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    Journal Article
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    Competing intramolecular vs. intermolecular hydrogen bonds in solution by Nagy, Peter I

    “…A hydrogen bond for a local-minimum-energy structure can be identified according to the definition of the International Union of Pure and Applied Chemistry…”
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    Journal Article Book Review
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    Approaching the Basis Set Limit of CCSD(T) Energies for Large Molecules with Local Natural Orbital Coupled-Cluster Methods by Nagy, Péter R, Kállay, Mihály

    Published in Journal of chemical theory and computation (08-10-2019)
    “…Recent optimization efforts and extensive benchmark applications are presented illustrating the accuracy and efficiency of the linear-scaling local natural…”
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    Journal Article
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    Genetic and morphological divergences in the cosmopolitan deep-sea amphipod Eurythenes gryllus reveal a diverse abyss and a bipolar species by Havermans, Charlotte, Sonet, Gontran, d'Udekem d'Acoz, Cédric, Nagy, Zoltán T, Martin, Patrick, Brix, Saskia, Riehl, Torben, Agrawal, Shobhit, Held, Christoph

    Published in PloS one (25-09-2013)
    “…Eurythenes gryllus is one of the most widespread amphipod species, occurring in every ocean with a depth range covering the bathyal, abyssal and hadal zones…”
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    Journal Article
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    Extraction and characterization of chitin and chitosan from local sources by Abdou, Entsar S., Nagy, Khaled S.A., Elsabee, Maher Z.

    Published in Bioresource technology (01-03-2008)
    “…Chitin has been extracted from six different local sources in Egypt. The obtained chitin was converted into the more useful soluble chitosan by steeping into…”
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    Journal Article
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    Mechanistic chemical perspective of hydrogen sulfide signaling by Nagy, Péter

    Published in Methods in enzymology (2015)
    “…Hydrogen sulfide is now a well-appreciated master regulator in a diverse array of physiological processes. However, as a consequence of the rapid growth of the…”
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    Journal Article
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    Spherical Density Functional Theory and Atoms in Molecules by Nagy, Á

    “…It has recently turned out that in molecules and solids a set of spherically symmetric densities determines uniquely the external potential. Here it is shown…”
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    Journal Article
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    Variational Quantum Monte Carlo Method with a Neural-Network Ansatz for Open Quantum Systems by Nagy, Alexandra, Savona, Vincenzo

    Published in Physical review letters (28-06-2019)
    “…The possibility to simulate the properties of many-body open quantum systems with a large number of degrees of freedom (d.o.f.) is the premise to the solution…”
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    Journal Article
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    The application and treatment of freshwater macrophytes as potential biogas base materials: A review by Nagy, Gábor

    Published in Renewable & sustainable energy reviews (01-07-2024)
    “…Working towards a carbon-neutral future requires countries to decrease fossil fuel utilisation which is closely related to decreasing the natural gas…”
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    Journal Article