Publications by authors named "Martin Fitzner"

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Machine Learning C-N Couplings: Obstacles for a General-Purpose Reaction Yield Prediction.
Martin Fitzner, Georg Wuitschik, Raffael Koller, Jean-Michel Adam, Torsten Schindler

ACS Omega· January 2023

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Accurate prediction of ice nucleation from room temperature water.
Michael Benedict Davies, Martin Fitzner, Angelos Michaelides

Proc Natl Acad Sci U S A· August 2022

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How do interfaces alter the dynamics of supercooled water?
Piero Gasparotto, Martin Fitzner, Stephen James Cox, Gabriele Cesare Sosso, Angelos Michaelides

Nanoscale· March 2022

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Routes to cubic ice through heterogeneous nucleation.
Michael Benedict Davies, Martin Fitzner, Angelos Michaelides

Proc Natl Acad Sci U S A· March 2021

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What can reaction databases teach us about Buchwald-Hartwig cross-couplings?
Martin Fitzner, Georg Wuitschik, Raffael J Koller, Jean-Michel Adam, Torsten Schindler

Chem Sci· December 2020

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Predicting heterogeneous ice nucleation with a data-driven approach.
Martin Fitzner, Philipp Pedevilla, Angelos Michaelides

Nat Commun· September 2020

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Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods.
Jan Gerit Brandenburg, Andrea Zen, Martin Fitzner, Benjamin Ramberger, Georg Kresse

J Phys Chem Lett· February 2019

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Ice is born in low-mobility regions of supercooled liquid water.
Martin Fitzner, Gabriele C Sosso, Stephen J Cox, Angelos Michaelides

Proc Natl Acad Sci U S A· February 2019

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Heterogeneous seeded molecular dynamics as a tool to probe the ice nucleating ability of crystalline surfaces.
Philipp Pedevilla, Martin Fitzner, Gabriele C Sosso, Angelos Michaelides

J Chem Phys· August 2018

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Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation.
Martin Fitzner, Gabriele C Sosso, Fabio Pietrucci, Silvio Pipolo, Angelos Michaelides

Nat Commun· December 2017

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Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces.
Martin Fitzner, Laurent Joly, Ming Ma, Gabriele C Sosso, Andrea Zen

J Chem Phys· September 2017

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Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations.
Gabriele C Sosso, Ji Chen, Stephen J Cox, Martin Fitzner, Philipp Pedevilla

Chem Rev· June 2016

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The Many Faces of Heterogeneous Ice Nucleation: Interplay Between Surface Morphology and Hydrophobicity.
Martin Fitzner, Gabriele C Sosso, Stephen J Cox, Angelos Michaelides

J Am Chem Soc· October 2015

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