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Martin Fitzner
Martin Fitzner
Scientist Digital Chemistry
Verified email at merckgroup.com - Homepage
Title
Cited by
Cited by
Year
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
5472016
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
1842015
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
672019
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
672019
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), 1-7, 2017
472017
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
412017
Structural and electronic properties of α-tin nanocrystals from first principles
S Küfner, J Furthmüller, L Matthes, M Fitzner, F Bechstedt
Physical Review B 87 (23), 235307, 2013
372013
Topological α-Sn surface states versus film thickness and strain
S Küfner, M Fitzner, F Bechstedt
Physical Review B 90 (12), 125312, 2014
302014
Predicting heterogeneous ice nucleation with a data-driven approach
M Fitzner, P Pedevilla, A Michaelides
Nature Communications 11 (1), 1-9, 2020
232020
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
172018
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), 121102, 2017
132017
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
112020
Routes to cubic ice through heterogeneous nucleation
MB Davies, M Fitzner, A Michaelides
Proceedings of the National Academy of Sciences 118 (13), e2025245118, 2021
62021
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
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
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