Computational design of lightweight high-entropy alloys with large scale ab-initio simulations
Computational material science
Machine-learning-assisted material discovery
I am available and interested in collaborations (e.g. clusters, grants).
I am interested in and conduct interdisciplinary research.
I am interested in working with undergraduate students on research projects.
- First-principles Hubbard U and Hund's J corrected approximate density-functional theory predicts an accurate fundamental gap in rutile and anatase TiO2 (2020)
- Reproducibility in G0W0 calculations for solids (2020)
Computer Physics Communications,
- Plasmonic performance of AuxAgyCu1-x-y alloys from many-body perturbation theory (2019)
- TDDFT+U: A critical assessment of the Hubbard U correction to exchange-correlation kernels and potentials (2019)