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DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
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DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

Teale, Andrew M ; Helgaker, Trygve ; Savin, Andreas ; Adamo, Carlo ; Aradi, Bálint ; Arbuznikov, Alexei V ; Ayers, Paul W ; Baerends, Evert Jan ; Barone, Vincenzo ; Calaminici, Patrizia ; Cancès, Eric ; Carter, Emily A ; Chattaraj, Pratim Kumar ; Chermette, Henry ; Ciofini, Ilaria ; Crawford, T. Daniel ; De Proft, Frank ; Dobson, John F ; Draxl, Claudia ; Frauenheim, Thomas ; Fromager, Emmanuel ; Fuentealba, Patricio ; Gagliardi, Laura ; Galli, Giulia ; Gao, Jiali ; Geerlings, Paul ; Gidopoulos, Nikitas ; Gill, Peter M. W ; Gori-Giorgi, Paola ; Görling, Andreas ; Gould, Tim ; Grimme, Stefan ; Gritsenko, Oleg ; Jensen, Hans Jørgen Aagaard ; Johnson, Erin R ; Jones, Robert O ; Kaupp, Martin ; Köster, Andreas M ; Kronik, Leeor ; Krylov, Anna I ; Kvaal, Simen ; Laestadius, Andre ; Levy, Mel ; Lewin, Mathieu ; Liu, Shubin ; Loos, Pierre-François ; Maitra, Neepa T ; Neese, Frank ; Perdew, John P ; Pernal, Katarzyna ; Pernot, Pascal ; Piecuch, Piotr ; Rebolini, Elisa ; Reining, Lucia ; Romaniello, Pina ; Ruzsinszky, Adrienn ; Salahub, Dennis R ; Scheffler, Matthias ; Schwerdtfeger, Peter ; Staroverov, Viktor N ; Sun, Jianwei ; Tellgren, Erik ; Tozer, David J ; Trickey, Samuel B ; Ullrich, Carsten A ; Vela, Alberto ; Vignale, Giovanni ; Wesolowski, Tomasz A ; Xu, Xin ; Yang, Weitao

Physical chemistry chemical physics : PCCP, 2022-12, Vol.24 (47), p.287-28781 [Periódico revisado por pares]

England: Royal Society of Chemistry

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2
Generalized Coordinate Bethe Ansatz for open spin chains with non-diagonal boundaries
Generalized Coordinate Bethe Ansatz for open spin chains with non-diagonal boundaries
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Generalized Coordinate Bethe Ansatz for open spin chains with non-diagonal boundaries

Ragoucy, E

Journal of physics. Conference series, 2012-01, Vol.343 (1), p.12100-9 [Periódico revisado por pares]

Bristol: IOP Publishing

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3
Influence of partially known parameter on flaw characterization in Eddy Current Testing by using a random walk MCMC method based on metamodeling
Influence of partially known parameter on flaw characterization in Eddy Current Testing by using a random walk MCMC method based on metamodeling
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Influence of partially known parameter on flaw characterization in Eddy Current Testing by using a random walk MCMC method based on metamodeling

Cai, Caifang ; Rodet, Thomas ; Lambert, Marc

Journal of physics. Conference series, 2014-01, Vol.542 (1), p.12009-6 [Periódico revisado por pares]

Bristol: IOP Publishing

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4
Shape-morphing architected sheets with non-periodic cut patterns
Shape-morphing architected sheets with non-periodic cut patterns
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Shape-morphing architected sheets with non-periodic cut patterns

Celli, Paolo ; McMahan, Connor ; Ramirez, Brian ; Bauhofer, Anton ; Naify, Christina ; Hofmann, Douglas ; Audoly, Basile ; Daraio, Chiara

Soft matter, 2018-12, Vol.14 (48), p.9744-9749 [Periódico revisado por pares]

England: Royal Society of Chemistry

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5
Waves in periodic media: Fourier analysis shortcuts and physical insights, case of 2D phononic crystals
Waves in periodic media: Fourier analysis shortcuts and physical insights, case of 2D phononic crystals
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Waves in periodic media: Fourier analysis shortcuts and physical insights, case of 2D phononic crystals

Dupont, S ; Gazalet, J ; Kastelik, J C

Journal of physics. Conference series, 2014-01, Vol.490 (1), p.12120-4 [Periódico revisado por pares]

Bristol: IOP Publishing

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6
Diffusion-influenced reactions on non-spherical partially absorbing axisymmetric surfaces
Diffusion-influenced reactions on non-spherical partially absorbing axisymmetric surfaces
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Diffusion-influenced reactions on non-spherical partially absorbing axisymmetric surfaces

Piazza, Francesco ; Grebenkov, Denis

Physical chemistry chemical physics : PCCP, 2019-11, Vol.21 (46), p.25896-2596 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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7
Asymptotically free N = 2 theories and irregular conformal blocks
Asymptotically free N = 2 theories and irregular conformal blocks
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Asymptotically free N = 2 theories and irregular conformal blocks

Gaiotto, Davide

Journal of physics. Conference series, 2013, Vol.462, p.1-5 [Periódico revisado por pares]

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8
A linear iterative unfolding method
A linear iterative unfolding method
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A linear iterative unfolding method

Laszlo, Andras

Journal of physics. Conference series, 2012-01, Vol.368 (1), p.12043-9, Article 012043 [Periódico revisado por pares]

Bristol: IOP Publishing

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9
The nanocaterpillar's random walk: diffusion with ligand-receptor contacts
The nanocaterpillar's random walk: diffusion with ligand-receptor contacts
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The nanocaterpillar's random walk: diffusion with ligand-receptor contacts

Marbach, Sophie ; Zheng, Jeana Aojie ; Holmes-Cerfon, Miranda

Soft matter, 2022-04, Vol.18 (16), p.313-3146 [Periódico revisado por pares]

England: Royal Society of Chemistry

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10
High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling
High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling
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High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling

Jaffrelot Inizan, Théo ; Célerse, Frédéric ; Adjoua, Olivier ; El Ahdab, Dina ; Jolly, Luc-Henri ; Liu, Chengwen ; Ren, Pengyu ; Montes, Matthieu ; Lagarde, Nathalie ; Lagardère, Louis ; Monmarché, Pierre ; Piquemal, Jean-Philip

Chemical science (Cambridge), 2021-04, Vol.12 (13), p.4889-497 [Periódico revisado por pares]

England: Royal Society of Chemistry

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