• Richard Petersens Plads, 324, 280

    2800 Kgs. Lyngby

    Denmark

20122020

Research output per year

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Research Output

Ab initio current-induced molecular dynamics

Lü, J-T., Leitherer, S., Papior, N. R. & Brandbyge, M., 2020, In : Physical Review B (Condensed Matter and Materials Physics). 101, 20, 201406.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
68 Downloads (Pure)

Siesta: Recent developments and applications

García, A., Papior, N. R., Akhtar, A., Artacho, E., Blum, V., Bosoni, E., Brandimarte, P., Brandbyge, M., Cerdá, J. I., Corsetti, F., Cuadrado, R., Dikan, V., Ferrer, J., Gale, J., García-Fernández, P., García-Suárez, V. M., García, S., Huhs, G., Illera, S., Korytár, R. & 16 others, Koval, P., Lebedeva, I., Lin, L., López-Tarifa, P., Mayo, S. G., Mohr, S., Ordejón, P., Postnikov, A., Pouillon, Y., Pruneda, M., Robles, R., Sánchez-Portal, D., Soler, J. M., Ullah, R., Yu, V. W. & Junquera, J., 2020, In : Journal of Chemical Physics. 152, 20, 32 p., 204108.

Research output: Contribution to journalJournal articleResearchpeer-review

The CECAM electronic structure library and the modular software development paradigm

Oliveira, M. J. T., Papior, N., Pouillon, Y., Blum, V., Artacho, E., Caliste, D., Corsetti, F., de Gironcoli, S., Elena, A. M., García, A., García-Suárez, V. M., Genovese, L., Huhn, W. P., Huhs, G., Kokott, S., Küçükbenli, E., Larsen, A. H., Lazzaro, A., Lebedeva, I. V., Li, Y. & 17 others, López-Durán, D., López-Tarifa, P., Lüders, M., Marques, M. A. L., Minar, J., Mohr, S., Mostofi, A. A., O'Cais, A., Payne, M. C., Ruh, T., Smith, D. G. A., Soler, J. M., Strubbe, D. A., Tancogne-Dejean, N., Tildesley, D., Torrent, M. & Yu, V. W. Z., 14 Jul 2020, In : The Journal of Chemical Physics. 153, 2, 25 p., 024117.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access

Current-induced atomic forces in gated graphene nanoconstrictions

Leitherer, S., Papior, N. R. & Brandbyge, M., 2019, In : Physical Review B. 100, 3, 8 p., 035415.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
156 Downloads (Pure)

Electron transport in nanoporous graphene: Probing the Talbot effect

Calogero, G., Papior, N. R., Kretz, B., Garcia-Lekue, A., Frederiksen, T. & Brandbyge, M., 2019, In : Nano letters. 19, 1, p. 576-581 6 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
78 Downloads (Pure)

Projects

Activities

  • 4 Participating in or organising workshops, courses, seminars etc.
  • 2 Conference presentations
  • 1 Guest lectures, external teaching and course activities at other universities

New developments in SIESTA for high-performance materials simulations

Nick Rübner Papior (Organizer)

22 Sep 2020

Activity: Attending an eventParticipating in or organising workshops, courses, seminars etc.

Program flow control using scripting languages

Nick Rübner Papior (Guest lecturer)

3 Jul 2020

Activity: Talks and presentationsConference presentations

sisl + TBtrans + TranSiesta workshop

Nick Rübner Papior (Organizer) & Mads Brandbyge (Organizer)

25 Oct 201727 Oct 2017

Activity: Attending an eventParticipating in or organising workshops, courses, seminars etc.

N≥1 NEGF calculations & molecular projected transport

Nick Rübner Papior (Guest lecturer)

13 Jun 201617 Jun 2016

Activity: Talks and presentationsConference presentations

Electronic Structure library coding workshop

Nick Rübner Papior (Participant)

1 Jun 20156 Jun 2015

Activity: Attending an eventParticipating in or organising workshops, courses, seminars etc.