Follow
Martin Fitzner
Martin Fitzner
Lead Data 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
8992016
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
2452015
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
1312019
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
1182019
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
762017
Predicting heterogeneous ice nucleation with a data-driven approach
M Fitzner, P Pedevilla, A Michaelides
Nature communications 11 (1), 4777, 2020
602020
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
562017
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
512020
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
462013
Topological -Sn surface states versus film thickness and strain
S Küfner, M Fitzner, F Bechstedt
Physical Review B 90 (12), 125312, 2014
372014
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
312018
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
302023
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
232022
Routes to cubic ice through heterogeneous nucleation
MB Davies, M Fitzner, A Michaelides
Proceedings of the National Academy of Sciences 118 (13), e2025245118, 2021
232021
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
172017
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
72022
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
The system can't perform the operation now. Try again later.
Articles 1–20