Research Output per year
Network
Recent external collaboration on country level. Dive into details by clicking on the dots.
Research Output 2009 2019
A Perspective on Inverse Design of Battery Interphases using Multi-scale Modelling, Experiments and Generative Deep Learning
Bhowmik, A., Castelli, I. E., García-Lastra, J. M., Jørgensen, P. B., Winther, O. & Vegge, T., 2019, In : Energy Storage Materials. 21, p. 446-456Research output: Contribution to journal › Journal article › Research › peer-review
Open Access
File
A Protocol for Fast Prediction of Electronic and Optical Properties of Donor-Acceptor Polymers Using Density Functional Theory and the Tight-Binding Method
Mesta, M., Chang, J. H., Shil, S., Thygesen, K. S. & García Lastra, J. M., 2019, In : Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 123, 23, p. 4980-4989 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
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 journal › Journal article › Research › peer-review
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 journal › Journal article › Research › peer-review
Open Access
File
CLEASE: Implementation of cluster expansion method in atomic simulation environment package
García Lastra, J. M., Chang, J. & Vegge, T., 2019, In : American Chemical Society. Abstracts of Papers (at the National Meeting). 257, 1 p.Research output: Contribution to journal › Conference abstract in journal › Research › peer-review
Projects 2012 2022
Atomic-scale modelling of magnesium batteries
Vincent, S., García Lastra, J. M. & Vegge, T.
15/08/2019 → 14/08/2022
Project: PhD
Density functional theory based modelling of materials for resistive switching memories
Pedersen, C. S., García Lastra, J. M., Pryds, N., Vegge, T. & Chang, J.
01/01/2017 → 05/05/2020
Project: PhD
Theoretical investigations of the sudden death process in metal-air batteries
Tygesen, A. S., García Lastra, J. M., Vegge, T. & Chang, J.
Eksternt finansieret virksomhed
01/01/2017 → 31/12/2019
Project: PhD
Density Functional Theory Studies of Water Electrolysis on Ceria
Wu, T., Vegge, T., Hansen, H. A., García Lastra, J. M., Studt, F. & Hermansson, K. G.
Eksternt finansieret virksomhed
01/08/2016 → 30/09/2019
Project: PhD
Young investigator Program from Villum Foundation
Mathiesen, N. R., García Lastra, J. M., Vegge, T., García-Fernández, P., Hansen, H. A., Johannes, M. D. & Henkelman, G.
Eksternt finansieret virksomhed
01/05/2015 → 04/03/2019
Project: PhD
Activities 2018 2018
- 4 Conference presentations
Combining constrained DFT and Marcus Theory to assess polaronic charge transport
Juan Maria García Lastra (Guest lecturer)23 Jul 2018 → 27 Jul 2018
Activity: Talks and presentations › Conference 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 presentations › Conference presentations
Charge Transport Through Polaronic Mechanism in Battery Cathode Materials
Juan Maria García Lastra (Guest lecturer)24 Jun 2018 → 29 Jun 2918
Activity: Talks and presentations › Conference 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 presentations › Conference presentations