Moustafa, H, Lyngby, P M, Mortensen, J J, Thygesen, K S & Jacobsen, K W 2023, ' Hundreds of new, stable, one-dimensional materials from a generative machine learning model ', Physical Review Materials, vol. 7, no. 1, 014007 . https://doi.org/10.1103/PhysRevMaterials.7.014007
Jelver, L, Hansen, O & Jacobsen, K W 2021, ' Assessing the role of quantum effects in two-dimensional heterophase MoTe2 field effect transistors ', Physical Review B, vol. 104, no. 4, 045313 . https://doi.org/10.1103/PhysRevB.104.045313 Jelver, L, Hansen, O & Jacobsen, K W 2021, ' Assessing the role of quantum effects in two-dimensional heterophase MoTe 2 field effect transistors ', Physical Review B, vol. 104, no. 4, 045313 . https://doi.org/10.1103/PhysRevB.104.045313
Kaappa, S, Larsen, C & Jacobsen, K W 2021, ' Atomic Structure Optimization with Machine-Learning Enabled Interpolation between Chemical Elements ', Physical Review Letters, vol. 127, no. 16, 166001 . https://doi.org/10.1103/PhysRevLett.127.166001
Kaappa, S, Del Río, E G & Jacobsen, K W 2021, ' Global optimization of atomic structures with gradient-enhanced Gaussian process regression ', Physical Review B, vol. 103, no. 17, 174114 . https://doi.org/10.1103/PhysRevB.103.174114
Batchelor, T A A, Pedersen, J K, Winther, S H, Castelli, I E, Jacobsen, K W & Rossmeisl, J 2019, ' High-Entropy Alloys as a Discovery Platform for Electrocatalysis ', Joule, vol. 3, no. 3, pp. 834-845 . https://doi.org/10.1016/j.joule.2018.12.015
Jelver, L, Stradi, D, Stokbro, K & Jacobsen, K W 2021, ' Schottky barrier lowering due to interface states in 2D heterophase devices ', Nanoscale Advances, vol. 3, no. 2, pp. 567-574 . https://doi.org/10.1039/d0na00795a
Mikkelsen, A E G, Schiøtz, J, Vegge, T & Jacobsen, K W 2021, ' Is the water-Pt(111) interface ordered at room temperature? ', Journal of Chemical Physics, vol. 155, no. 22 . https://doi.org/10.1063/5.0077580