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Refinado por: Base de dados/Biblioteca: BACON - Mir@bel - GLOBAL_LIBRESACCES remover assunto: Physics remover Physical Sciences remover METADEX remover
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Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields
Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields
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Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields

Lagardère, Louis ; Jolly, Luc-Henri ; Lipparini, Filippo ; Aviat, Félix ; Stamm, Benjamin ; Jing, Zhifeng F ; Harger, Matthew ; Torabifard, Hedieh ; Cisneros, G Andrés ; Schnieders, Michael J ; Gresh, Nohad ; Maday, Yvon ; Ren, Pengyu Y ; Ponder, Jay W ; Piquemal, Jean-Philip

Chemical science (Cambridge), 2018, Vol.9 (4), p.956-972 [Periódico revisado por pares]

England: Royal Society of Chemistry

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2
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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3
Forced convective tangent hyperbolic nanofluid flow subject to heat source/sink and Lorentz force over a permeable wedge: Numerical exploration
Forced convective tangent hyperbolic nanofluid flow subject to heat source/sink and Lorentz force over a permeable wedge: Numerical exploration
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Forced convective tangent hyperbolic nanofluid flow subject to heat source/sink and Lorentz force over a permeable wedge: Numerical exploration

Alqahtani, Aisha M. ; Bilal, Muhammad ; Riaz, Muhammad Bilal ; Chammam, Wathek ; Shafi, Jana ; Rahman, Mati ur ; Adnan

Nanotechnology reviews (Berlin), 2024-05, Vol.13 (1), p.170664-89 [Periódico revisado por pares]

Berlin: De Gruyter

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4
Polymorphism in carbohydrate self-assembly at surfaces: STM imaging and theoretical modelling of trehalose on Cu(100)
Polymorphism in carbohydrate self-assembly at surfaces: STM imaging and theoretical modelling of trehalose on Cu(100)
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Polymorphism in carbohydrate self-assembly at surfaces: STM imaging and theoretical modelling of trehalose on Cu(100)

Abb, Sabine ; Tarrat, Nathalie ; Cortés, Juan ; Andriyevsky, Bohdan ; Harnau, Ludger ; Schön, J. Christian ; Rauschenbach, Stephan ; Kern, Klaus

RSC advances, 2019-11, Vol.9 (61), p.35813-35819 [Periódico revisado por pares]

England: Royal Society of Chemistry

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5
A Study on the Adsorption Mechanism and Compactness of the TFS Coating Interfacial Layer
A Study on the Adsorption Mechanism and Compactness of the TFS Coating Interfacial Layer
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A Study on the Adsorption Mechanism and Compactness of the TFS Coating Interfacial Layer

Xie, Yafei ; Zhao, Tong ; Liu, Kai

Coatings (Basel), 2023-07, Vol.13 (7), p.1290 [Periódico revisado por pares]

Basel: MDPI AG

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6
POViT: Vision Transformer for Multi-Objective Design and Characterization of Photonic Crystal Nanocavities
POViT: Vision Transformer for Multi-Objective Design and Characterization of Photonic Crystal Nanocavities
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POViT: Vision Transformer for Multi-Objective Design and Characterization of Photonic Crystal Nanocavities

Chen, Xinyu ; Li, Renjie ; Yu, Yueyao ; Shen, Yuanwen ; Li, Wenye ; Zhang, Yin ; Zhang, Zhaoyu

Nanomaterials (Basel, Switzerland), 2022-12, Vol.12 (24), p.4401 [Periódico revisado por pares]

Switzerland: MDPI AG

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7
Skyrmion Dynamics in a Double-Disk Geometry under an Electric Current
Skyrmion Dynamics in a Double-Disk Geometry under an Electric Current
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Skyrmion Dynamics in a Double-Disk Geometry under an Electric Current

Castillo-Sepúlveda, Sebastián ; Vélez, Javier A. ; Corona, Rosa M. ; Carvalho-Santos, Vagson L. ; Laroze, David ; Altbir, Dora

Nanomaterials (Basel, Switzerland), 2022-09, Vol.12 (18), p.3086 [Periódico revisado por pares]

Basel: MDPI AG

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8
Efficient Rigorous Coupled-Wave Analysis Simulation of Mueller Matrix Ellipsometry of Three-Dimensional Multilayer Nanostructures
Efficient Rigorous Coupled-Wave Analysis Simulation of Mueller Matrix Ellipsometry of Three-Dimensional Multilayer Nanostructures
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Efficient Rigorous Coupled-Wave Analysis Simulation of Mueller Matrix Ellipsometry of Three-Dimensional Multilayer Nanostructures

Pham, Hoang-Lam ; Alcaire, Thomas ; Soulan, Sebastien ; Le Cunff, Delphine ; Tortai, Jean-Hervé

Nanomaterials (Basel, Switzerland), 2022-11, Vol.12 (22), p.3951 [Periódico revisado por pares]

Switzerland: MDPI AG

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9
Skyrmion Dynamics in a Double-Disk Geometry under an Electric Current: Part Two
Skyrmion Dynamics in a Double-Disk Geometry under an Electric Current: Part Two
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Skyrmion Dynamics in a Double-Disk Geometry under an Electric Current: Part Two

Castillo-Sepúlveda, Sebastián ; Vélez, Javier A. ; Corona, Rosa M. ; Carvalho-Santos, Vagson L. ; Laroze, David ; Altbir, Dora

Nanomaterials (Basel, Switzerland), 2022-10, Vol.12 (21), p.3793 [Periódico revisado por pares]

Basel: MDPI AG

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10
Tunable Electrical Properties of Ti-B-N Thin Films Sputter-Deposited by the Reactive Gas Pulsing Process
Tunable Electrical Properties of Ti-B-N Thin Films Sputter-Deposited by the Reactive Gas Pulsing Process
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Tunable Electrical Properties of Ti-B-N Thin Films Sputter-Deposited by the Reactive Gas Pulsing Process

Sakkas, Charalampos ; Cote, Jean-Marc ; Gavoille, Joseph ; Rauch, Jean-Yves ; Cornuault, Pierre-Henri ; Krystianiak, Anna ; Heintz, Olivier ; Martin, Nicolas

Coatings (Basel), 2022-11, Vol.12 (11), p.1711 [Periódico revisado por pares]

Basel: MDPI AG

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