• Anker Engelunds Vej, 301, 112

    2800 Kgs. Lyngby

    Denmark

20092022
If you made any changes in Pure these will be visible here soon.

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

Research Output 2009 2020

From Trigonal to Cubic LiVO2: A High-Energy Phase Transition Towards Disordered Rock Salt Materials

Chable, J., Baur, C., Chang, J., Wenzel, S., García Lastra, J. M. & Vegge, T., 2020, (Accepted/In press) In : Journal of Physical Chemistry C.

Research output: Contribution to journalJournal articleResearchpeer-review

285 Downloads (Pure)
Open Access
File

Charge Transport in Alkali-Metal Superoxides: A Systematic First-Principles Study

Mathiesen, N. R., Yang, S., García-Lastra, J. M., Vegge, T. & Siegel, D. J., 2019, In : Chemistry of Materials. 31, 21, p. 9156-9167 13 p.

Research output: Contribution to journalJournal articleResearchpeer-review

220 Downloads (Pure)

CLEASE: A versatile and user-friendly implementation of Cluster Expansion method

Chang, J., Kleiven, D., Melander, M., Akola, J., García Lastra, J. M. & Vegge, T., 2019, In : Journal of Physics: Condensed Matter. 31, 32, 14 p., 325901.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File

Projects 2012 2022

Activities 2018 2018

  • 4 Conference presentations

Charge Transport Through Polaronic Mechanism in Battery Cathode Materials

Juan Maria García Lastra (Guest lecturer)
24 Jun 201829 Jun 2918

Activity: Talks and presentationsConference presentations

Using Cluster Expansion to Characterize Battery Cathode Materials: Implementation and Application

Jinhyun Chang (Speaker), Juan Maria García Lastra (Other), Tejs Vegge (Other)
19 Jun 2018

Activity: Talks and presentationsConference presentations

Combining constrained DFT and Marcus Theory to assess polaronic charge transport

Juan Maria García Lastra (Guest lecturer)
23 Jul 201827 Jul 2018

Activity: Talks and presentationsConference presentations

Unraveling the Inner-Workings of Lithium Transition Metal Oxyfluorides Using DFT-Based Cluster Expansion Method

Jinhyun Chang (Speaker), Simon Loftager (Other), Juan Maria García Lastra (Other), Tejs Vegge (Other)
15 May 2018

Activity: Talks and presentationsConference presentations