• Anker Engelunds Vej, 301, 112

    2800 Kgs. Lyngby

    Denmark

20092020

Research output per year

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Research Output

Autonomous discovery of materials for intercalation electrodes

Bolle, F. T., Mathiesen, N. R., Juul Nielsen, A., Vegge, T., García Lastra, J. M. & Castelli, I. E., 2020, In : Batteries and Supercaps. 3, 6, p. 488-498

Research output: Contribution to journalJournal articleResearchpeer-review

Computational framework for a systematic investigation of anionic redox process in Li-rich compounds

Tygesen, A. S., Chang, J., Vegge, T. & García Lastra, J. M., 2020, In : n p j Computational Materials. 6, 1, 9 p., 65.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
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Correction: Density functional theory study of superoxide ions as impurities in alkali halides

Sougaard Tygesen, A., Mathiesen, N. R., Chang, J. & García-Lastra, J. M., 2020, (Accepted/In press) In : Physical Chemistry Chemical Physics.

Research output: Contribution to journalJournal articleResearchpeer-review

Cover Picture: Autonomous Discovery of Materials for Intercalation Electrodes (Batteries & Supercaps 6/2020)

Bölle, F. T., Mathiesen, N. R., Nielsen, A. J., Vegge, T., García Lastra, J. M. & Castelli, I. E., 2020, In : Batteries and Supercaps. 3, 6, p. 470-470

Research output: Contribution to journalJournal articleResearchpeer-review

Density Functional Theory study of superoxide ions as impurities in alkali halides

Tygesen, A. S., Mathiesen, N. R., Chang, J. H. & García Lastra, J. M., 2020, (Accepted/In press) In : Physical Chemistry Chemical Physics.

Research output: Contribution to journalJournal articleResearchpeer-review

Projects

Activities

  • 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

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

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