We develop novel computational methods to understand the properties of solids from their basic ingredients. We apply them to unveil the mysteries hidden in materials and to predict new exciting compounds.

Research

We use first-principles quantum mechanical methods to understand and predict the properties of materials.

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Latest publications

Directionally Locked Heteroepitaxy with a Structurally Modulated van der Waals Material

Nitish Mathur, Guangming Cheng, Francesc Ballester, Gabrielle Carrel, Vincent M. Plisson, Fang Yuan, Jiangchang Zheng, Caiyun Chen, Scott B. Lee, Ratnadwip Singha, Sudipta Chatterjee, Kenji Watanabe, Takashi Taniguchi, Kenneth S. Burch, Berthold Jäck, Ion Errea, Maia G. Vergniory, Nan Yao, Sanfeng Wu and Leslie M. Schoop
ACS Nano https://doi.org/10.1021/acsnano.6c04146 (2026)

Superconductivity in RbH12 at low pressures: An ab initio study

Đorđe Dangić, Manex Alkorta, Yue-Wen Fang and Ion Errea
SciPost Physics 20, 170 (2026)

Hybridized kagome bands and induced Ti magnetism in 𝑅⁢Ti3⁢Bi4 (𝑅=Nd, Sm, Gd) kagome metals studied using angle-resolved photoemission spectroscopy and x-ray magnetic circular dichroism

Chan-young Lim, Francesc Ballester, Arunava Kar, Manex Alkorta, D. Subires, J. Dai, M. Tallarida, Elio Vescovo, Timur K. Kim, Cephise Cacho, Changjiang Yi, Subhajit Roychowdhury, Avdhesh Kumar Sharma, Yongseong Choi, Gilberto Fabbris, Joerg Strempfer, Pierluigi Gargiani, Chandra Shekhar, Claudia Felser, Ion Errea, Maia G. Vergniory and S. Blanco-Canosa
Physical Review B 113, 214426 (2026)