Nick Rübner Papior

Nick Rübner Papior

Special Consultant

DTU COMPUTE
Department of Applied Mathematics and Computer Science

Technical University of Denmark

Richard Petersens Plads

Building 324, room 280

2800 Kgs. Lyngby

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2020
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Ab initio current-induced molecular dynamics

Lü, Jing-Tao ; Leitherer, Susanne ; Papior, Nick Rübner ; Brandbyge, Mads
in: Physical Review B (Condensed Matter and Materials Physics), vol: 101, issue: 20

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020

 

Siesta: Recent developments and applications

García, Alberto ; Papior, Nick Rübner ; Akhtar, Arsalan ; Artacho, Emilio ; Blum, Volker ; Bosoni, Emanuele ; Brandimarte, Pedro ; Brandbyge, Mads ; Cerdá, J. I. ; Corsetti, Fabiano ; Cuadrado, Ramón ; Dikan, Vladimir ; Ferrer, Jaime ; Gale, Julian ; García-Fernández, Pablo ; García-Suárez, V. M. ; García, Sandra ; Huhs, Georg ; Illera, Sergio ; Korytár, Richard ; Koval, Peter ; Lebedeva, Irina ; Lin, Lin ; López-Tarifa, Pablo ; Mayo, Sara G. ; Mohr, Stephan ; Ordejón, Pablo ; Postnikov, Andrei ; Pouillon, Yann ; Pruneda, Miguel ; Robles, Roberto ; Sánchez-Portal, Daniel ; Soler, Jose M. ; Ullah, Rafi ; Yu, Victor Wen-zhe ; Junquera, Javier
in: Journal of Chemical Physics, vol: 152, issue: 20

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1063/5.0005077

 

The CECAM electronic structure library and the modular software development paradigm

Oliveira, Micael J.T. ; Papior, Nick ; Pouillon, Yann ; Blum, Volker ; Artacho, Emilio ; Caliste, Damien ; Corsetti, Fabiano ; de Gironcoli, Stefano ; Elena, Alin M. ; García, Alberto ; García-Suárez, Víctor M. ; Genovese, Luigi ; Huhn, William P. ; Huhs, Georg ; Kokott, Sebastian ; Küçükbenli, Emine ; Larsen, Ask H. ; Lazzaro, Alfio ; Lebedeva, Irina V. ; Li, Yingzhou ; López-Durán, David ; López-Tarifa, Pablo ; Lüders, Martin ; Marques, Miguel A.L. ; Minar, Jan ; Mohr, Stephan ; Mostofi, Arash A. ; O'Cais, Alan ; Payne, Mike C. ; Ruh, Thomas ; Smith, Daniel G.A. ; Soler, José M. ; Strubbe, David A. ; Tancogne-Dejean, Nicolas ; Tildesley, Dominic ; Torrent, Marc ; Yu, Victor Wen Zhe
in: The Journal of Chemical Physics, vol: 153, issue: 2

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1063/5.0012901

2019
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Current-induced atomic forces in gated graphene nanoconstrictions

Leitherer, Susanne ; Papior, Nick Rübner ; Brandbyge, Mads
in: Physical Review B, vol: 100, issue: 3

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1103/PhysRevB.100.035415

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Electron transport in nanoporous graphene: Probing the Talbot effect

Calogero, Gaetano ; Papior, Nick Rübner ; Kretz, Bernhard ; Garcia-Lekue, Aran ; Frederiksen, Thomas ; Brandbyge, Mads
in: Nano letters, vol: 19, issue: 1, pages: 576-581

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.nanolett.8b04616

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Multi-scale approach to first-principles electron transport beyond 100 nm

Calogero, Gaetano ; Papior, Nick Rübner ; Koleini, Mohammad ; Larsen, Matthew Helmi Leth ; Brandbyge, Mads
in: Nanoscale, vol: 11, issue: 13, pages: 6153-6164

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1039/c9nr00866g

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Nonequilibrium Bond Forces in Single-Molecule Junctions

Brand, Jonathan ; Leitherer, Susanne ; Papior, Nick Rübner ; Néel, Nicolas ; Lei, Yong ; Brandbyge, Mads ; Kröger, Jörg
in: Nano Letters, vol: 19, issue: 11, pages: 7845-7851

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.nanolett.9b02845

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Quantum Interference Engineering of Nanoporous Graphene for Carbon Nanocircuitry

Calogero, Gaetano ; Alcón, Isaac ; Papior, Nick Rübner ; Jauho, Antti-Pekka ; Brandbyge, Mads
in: Journal of the American Chemical Society, vol: 141, issue: 33, pages: 13081-13088

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/jacs.9b04649

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Removing all periodic boundary conditions: Efficient nonequilibrium Green's function calculations

Papior, Nick Rübner ; Calogero, Gaetano ; Leitherer, Susanne ; Brandbyge, Mads
in: Physical Review B, vol: 100, issue: 19

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1103/physrevb.100.195417

2018
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Large-scale tight-binding simulations of quantum transport in ballistic graphene

Calogero, Gaetano ; Papior, Nick Rübner ; Bøggild, Peter ; Brandbyge, Mads
in: JOURNAL OF PHYSICS-CONDENSED MATTER, vol: 30, issue: 36

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1088/1361-648X/aad6f1