Abbott, J. W. et al. Roadmap on Advancements of the FHI‐aims Software Package. arXiv (2025).
Karpov, P., Marek, A., Melson, T., Pöppl, A., Yu, V. W.‐z., Hourahine, B., Garcia, A., Dawson, W., Yao, Y., Huhn, W., Moussa, J., Hall, S., Maurer, R., Herath, U., Lion, K., Kokott, S., & Blum, V. Solvers for Large‐Scale Electronic Structure Theory: ELPA and ELSI. arXiv (2025).
Herath, U., Bhat, S. S., Singh, V., Lee, A. T., Ngo, A. T., Park, H., & Romero, A. H. Stability and diffusion of oxygen vacancies in LaNiO3: a DMFT study. (2025).
In preparation
Chakraborty, R., Herath, U., & Blum, V. HybriD3 : A Curated Materials Database for Hybrid Organic‐Inorganic Semiconductors.
Zhang, M.‑Y., Herath, U., Merz, F., Yao, Y., Rampp, M., Ren, X., Blum, V., & Scheffler, M. All‑electron periodic GW method in numeric atom‑centered basis framework: a thorough benchmark.
Herath, U., Bhat, S. S., Singh, V., Park, H. & Romero, A. H. Investigating strongly correlated alloys via Dynamical Mean Field Theory.
