Transition Metal Nitride Catalysts for Electrochemical Reduction of Nitrogen to Ammonia at Ambient Conditions. - Younes Abghoui; Egill Skúlason (ICCS, 2015)

Computational Study of Electrochemical CO2 Reduction at Transition Metal Electrodes. - Javed Hussain; Egill Skúlason; Hannes Jónsson (ICCS, 2015)

Modeling Electrochemical Reactions at the Solid-liquid Interface Using Density Functional Calculations. - Egill Skúlason (ICCS, 2015)

Self-Supervised Learning with Atom Replacement for Catalyst Energy Prediction by Graph Neural Networks. - Yasufumi Sakai; Thang Dang; Shigeki Fukuta; Koichi Shirahata; Atsushi Ishikawa; Atsuki Inoue; Hiroshi Kawaguchi 001; Árni Björn Höskuldsson; Egill Skúlason (INNS DLIA@IJCNN, 2023)

Active Learning for Graph Neural Networks Training in Catalyst Energy Prediction. - Yasufumi Sakai; Naoki Matsumura; Atsuki Inoue; Hiroshi Kawaguchi 001; Thang Dang; Atsushi Ishikawa; Árni Björn Höskuldsson; Egill Skúlason (IJCNN, 2024)