| Crystal nucleation in liquids: Open questions and future challenges in molecular dynamics simulations GC Sosso, J Chen, SJ Cox, M Fitzner, P Pedevilla, A Zen, A Michaelides Chemical reviews 116 (12), 7078-7116, 2016 | 912 | 2016 |
| The Many Faces of Heterogeneous Ice Nucleation: Interplay Between Surface Morphology and Hydrophobicity M Fitzner, GC Sosso, SJ Cox, A Michaelides Journal of the American Chemical Society 137 (42), 13658-13669, 2015 | 250 | 2015 |
| Physisorption of water on graphene: Subchemical accuracy from many-body electronic structure methods JG Brandenburg, A Zen, M Fitzner, B Ramberger, G Kresse, T Tsatsoulis, ... The journal of physical chemistry letters 10 (3), 358-368, 2019 | 133 | 2019 |
| Ice is born in low-mobility regions of supercooled liquid water M Fitzner, GC Sosso, SJ Cox, A Michaelides Proceedings of the National Academy of Sciences 116 (6), 2009-2014, 2019 | 121 | 2019 |
| Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation M Fitzner, GC Sosso, F Pietrucci, S Pipolo, A Michaelides Nature communications 8 (1), 2257, 2017 | 78 | 2017 |
| Predicting heterogeneous ice nucleation with a data-driven approach M Fitzner, P Pedevilla, A Michaelides Nature communications 11 (1), 4777, 2020 | 64 | 2020 |
| What makes a good descriptor for heterogeneous ice nucleation on OH-patterned surfaces P Pedevilla, M Fitzner, A Michaelides Physical Review B 96 (11), 115441, 2017 | 57 | 2017 |
| What can reaction databases teach us about Buchwald–Hartwig cross-couplings? M Fitzner, G Wuitschik, RJ Koller, JM Adam, T Schindler, JL Reymond Chemical science 11 (48), 13085-13093, 2020 | 51 | 2020 |
| Structural and electronic properties of -tin nanocrystals from first principles S Küfner, J Furthmüller, L Matthes, M Fitzner, F Bechstedt Physical Review B—Condensed Matter and Materials Physics 87 (23), 235307, 2013 | 48 | 2013 |
| Topological -Sn surface states versus film thickness and strain S Küfner, M Fitzner, F Bechstedt Physical Review B 90 (12), 125312, 2014 | 38 | 2014 |
| Machine learning C–N couplings: Obstacles for a general-purpose reaction yield prediction M Fitzner, G Wuitschik, R Koller, JM Adam, T Schindler ACS omega 8 (3), 3017-3025, 2023 | 31 | 2023 |
| Heterogeneous seeded molecular dynamics as a tool to probe the ice nucleating ability of crystalline surfaces P Pedevilla, M Fitzner, GC Sosso, A Michaelides The Journal of Chemical Physics 149 (7), 072327, 2018 | 31 | 2018 |
| Routes to cubic ice through heterogeneous nucleation MB Davies, M Fitzner, A Michaelides Proceedings of the National Academy of Sciences 118 (13), e2025245118, 2021 | 25 | 2021 |
| Accurate prediction of ice nucleation from room temperature water MB Davies, M Fitzner, A Michaelides Proceedings of the National Academy of Sciences 119 (31), e2205347119, 2022 | 23 | 2022 |
| Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces M Fitzner, L Joly, M Ma, GC Sosso, A Zen, A Michaelides The Journal of Chemical Physics 147 (12), 2017 | 17 | 2017 |
| How do interfaces alter the dynamics of supercooled water? P Gasparotto, M Fitzner, SJ Cox, GC Sosso, A Michaelides Nanoscale 14 (11), 4254-4262, 2022 | 8 | 2022 |
| Research data supporting “Accurate Prediction of Ice Nucleation From Room Temperature Water” MB Davies, M Fitzner, A Michaelides | | 2022 |
| Research data supporting “Routes To Cubic Ice Through Heterogeneous Nucleation” A Michaelides, MB Davies, M Fitzner | | 2021 |
| Merging Data-Driven And Computational Methods to Understand Ice Nucleation M Fitzner UCL (University College London), 2018 | | 2018 |
| Supporting Information for: Predicting Heterogeneous Ice Nucleation With a Data-Driven Approach M Fitzner, P Pedevilla, A Michaelides | | |
Angelos MichaelidesUniversity of Cambridgeยืนยันอีเมลแล้วที่ cam.ac.uk