Výsledky vyhledávání - "Claudio Genovese"

Akademický článek

Análisis y propuesta de mejoramiento energético, económico y de habitabilidad en la edificación educativa pública de la UNS

Autor: José Luis Fernández, Lucas Rodríguez, Claudio Genovese, Mario Rasquete, Lucrecia Obiol

Publikováno v: Arquitecno, Vol 0, Iss 18, Pp 15-24 (2021)

Partiendo de los edificios del Departamento de Ciencias de la Administración, UNS, como unidades de análisis, se reconoce que las condiciones mínimas de habitabilidad dependen de un significativo insumo de energía auxiliar; registrando importante

Externí odkaz: https://doaj.org/article/740feaf9cb544cd5b9a5b41f5886159f

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The nature of the chemical bond in the dicarbon molecule

Autor: Claudio Genovese, Sandro Sorella

Publikováno v: The Journal of chemical physics. 153(16)

The molecular dissociation energy has often been explained and discussed in terms of singlet bonds, formed by bounded pairs of valence electrons. In this work we use a highly correlated resonating valence bond ansatz, providing a consistent paradigm

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::79ecc47aaf132ee86970a79eea46d1e4
https://pubmed.ncbi.nlm.nih.gov/33138394

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Autor: Claudio Genovese, Kousuke Nakano, Tomonori Shirakawa, Sandro Sorella

Publikováno v: Journal of Chemical Theory and Computation

We propose here a single Pfaffian correlated variational ansatz, that dramatically improves the accuracy with respect to the single determinant one, while remaining at a similar computational cost. A much larger correlation energy is indeed determine

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9aa4bb0d3fd862212d48430012168b60
https://pubmed.ncbi.nlm.nih.gov/32804497

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TurboRVB: a many-body toolkit for ab initio electronic simulations by quantum Monte Carlo

Autor: Claudio Genovese, Kousuke Nakano, Emanuele Coccia, Claudio Attaccalite, Mario Dagrada, Andrea Zen, Sandro Sorella, Guglielmo Mazzola, Matteo Barborini, Ye Luo, Michele Casula, Luca Capriotti

Publikováno v: Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2020, ⟨10.1063/5.0005037⟩
Journal of chemical physics online 152 (2020): 204121. doi:10.1063/5.0005037
info:cnr-pdr/source/autori:Nakano K.; Attaccalite C.; Barborini M.; Capriotti L.; Casula M.; Coccia E.; Dagrada M.; Genovese C.; Luo Y.; Mazzola G.; Zen A.; Sorella S./titolo:TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo/doi:10.1063%2F5.0005037/rivista:Journal of chemical physics online/anno:2020/pagina_da:204121/pagina_a:/intervallo_pagine:204121/volume:152
Journal of Chemical Physics, 2020, ⟨10.1063/5.0005037⟩

TurboRVB is a computational package for {\it ab initio} Quantum Monte Carlo (QMC) simulations of both molecular and bulk electronic systems. The code implements two types of well established QMC algorithms: Variational Monte Carlo (VMC), and Diffusio

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6d4f4b171ea4d107a6cdc6c145ce8aec
https://hal.archives-ouvertes.fr/hal-02733177/document

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Análisis y propuesta de mejoramiento energético, económico y de habitabilidad en la edificación educativa pública de la UNS

Autor: Lucrecia Obiol, José Luis Fernández, Lucas Gastón Rodríguez, Mario Rasquete, Claudio Genovese

Publikováno v: Arquitecno. :15

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::54b5d9e0e846fb632ef01d62e5180f84
https://doi.org/10.30972/arq.0185666

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Ground-State Properties of the Hydrogen Chain: Dimerization, Insulator-to-Metal Transition, and Magnetic Phases

Autor: Zhi-Hao Cui, Hao Shi, E. M. Stoudenmire, Claudio Genovese, Randy C. Sawaya, Ushnish Ray, Natalia Chepiga, Shiwei Zhang, Carlos A. Jiménez-Hoyos, Fengjie Ma, Steven R. White, Enrico Ronca, Phillip Helms, Garnet Kin-Lic Chan, Sandro Sorella, Mario Motta, Andrew J. Millis

Publikováno v: Physical review. X 10 (2020): 031058. doi:10.1103/PhysRevX.10.031058
info:cnr-pdr/source/autori:Motta, Mario; Genovese, Claudio; Ma, Fengjie; Cui, Zhi-Hao; Sawaya, Randy; Chan, Garnet Kin-Lic; Chepiga, Natalia; Helms, Phillip; Jimenez-Hoyos, Carlos; Millis, Andrew J.; Ray, Ushnish; Ronca, Enrico; Shi, Hao; Sorella, Sandro; Stoudenmire, Edwin M.; White, Steven R.; Zhang, Shiwei/titolo:Ground-State Properties of the Hydrogen Chain: Dimerization, Insulator-to-Metal Transition, and Magnetic Phases/doi:10.1103%2FPhysRevX.10.031058/rivista:Physical review. X/anno:2020/pagina_da:031058/pagina_a:/intervallo_pagine:031058/volume:10
Physical Review X
Physical Review X, 10(3):031058. American Physical Society

Accurate and predictive computations of the quantum-mechanical behavior of many interacting electrons in realistic atomic environments are critical for the theoretical design of materials with desired properties, and they require solving the grand-ch

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4762105b8495e08e97017a6a68caf4ef
http://www.cnr.it/prodotto/i/432445

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Assessing the accuracy of the Jastrow antisymmetrized geminal power in the H 4 model system

Autor: Claudio Genovese, Sandro Sorella, Antonella Meninno

We report a quantum Monte Carlo (QMC) study, on a very simple but nevertheless very instructive model system of four hydrogen atoms, recently proposed in Ref. 1. We find that the Jastrow correlated Antisymmetrized Geminal Power (JAGP) is able to reco

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6df80d6a7602f88b72f2fb56c2a642bb
http://hdl.handle.net/20.500.11767/87971

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Akademický článek

Linking morphology to thermal conductivity in PEDOT: an atomistic investigation.

Autor: Claudio Genovese, Aleandro Antidormi, Riccardo Dettori, Claudia Caddeo, Alessandro Mattoni, Luciano Colombo, Claudio Melis

Publikováno v: Journal of Physics D: Applied Physics; 12/13/2017, Vol. 50 Issue 49, p1-1, 1p

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