Fundamental Atomic Insight in Electrocatalysis, A. Bagger, I. E. Castelli, M. H. Hansen, and J. Rossmeisl, in Handbook of Materials Modeling, ed. W. Andreoni and S. Yip, Springer, July 2018.
Computational Screening of Light-Absorbing Materials for Photoelectrochemical Water Splitting, I. E. Castelli, K. Kuhar, M. Pandey, and K. W. Jacobsen, in Advances in Photoelectrochemical Water Splitting, ed. D. Tilley, S. Lany and R, van de Krol, RSC Editor, February 2018.
Computational High-throughput Screening for Solar Energy Materials, I. E. Castelli, K. S. Thygesen, and K. W. Jacobsen, in Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications, ed. G. Giorgi and K. Yamashita, CRC Press, June 2017.