Computational Atomic-scale Materials Design

  • Fysikvej, 307

    DK-2800 Kgs. Lyngby

    Denmark

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Research Output

A library of ab initio Raman spectra for automated identification of 2D materials

Taghizadeh, A., Leffers, U., Pedersen, T. G. & Thygesen, K. S., 2020, In : Nature Communications. 11, 1, 10 p., 3011.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
17 Downloads (Pure)

Bayesian error estimation in density functional theory

Christensen, R., Bligaard, T. & Jacobsen, K. W., 2020, Uncertainty Quantification in Multiscale Materials Modeling. Woodhead Publishing, p. 77-91

Research output: Chapter in Book/Report/Conference proceedingBook chapterResearchpeer-review

Conductance of quantum spin Hall edge states from first principles: The critical role of magnetic impurities and inter-edge scattering

Vannucci, L., Olsen, T. & Thygesen, K. S., 2020, In : Physical Review B. 101, 15, 11 p., 155404.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
11 Downloads (Pure)

Activities

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

Spatio-temporally resolved in situ transmission electron microscopy of the dynamics of nanostructured materials

Thomas Willum Hansen (Invited speaker), , Pei Liu (Other), , Jacob Madsen (Other), , Philomena Schlexer (Other), , Béla Sebök (Other), , Jakob Schiøtz (Other), & Jakob Birkedal Wagner (Other)

6 Aug 201710 Aug 2017

Activity: Talks and presentationsConference presentations

The 229th ECS Meeting

Vladimir Tripkovic (Speaker)

29 May 20162 Jun 2016

Activity: Talks and presentationsConference presentations

Genetic Algorithms and DFT for Accelerated Design of Nanoalloys

Heine Anton Hansen (Invited speaker)

2 Oct 20167 Oct 2016

Activity: Talks and presentationsConference presentations