Christoph Schran (C Schran)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 26

Top Topics

Machine Learning

Walled Carbon Nanotubes

Molecular Dynamics

Top Venues

The journal of physical chemistry letters

Journal of chemical theory and computation

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Niamh O'Neill, Benjamin X Shi, Kara D Fong, Angelos Michaelides, Christoph Schran
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water. The journal of physical chemistry letters (2024)
Kara D Fong, Barbara Sumić, Niamh O'Neill, Christoph Schran, Clare P Grey, Angelos Michaelides
The Interplay of Solvation and Polarization Effects on Ion Pairing in Nanoconfined Electrolytes. Nano letters (2024)
Richard Beckmann, Christoph Schran, Fabien Brieuc, Dominik Marx
Theoretical infrared spectroscopy of protonated methane isotopologues. Physical chemistry chemical physics : PCCP (2024)
Pavan Ravindra, Xavier R Advincula, Christoph Schran, Angelos Michaelides, Venkat Kapil
Quasi-one-dimensional hydrogen bonding in nanoconfined ice. Nature communications 15 (1) (2024)
Kara D Fong, Barbara Sumić, Niamh O'Neill, Christoph Schran, Clare P Grey, Angelos Michaelides
The Interplay of Solvation and Polarization Effects on Ion Pairing in Nanoconfined Electrolytes. Nano letters (2024)
Pavan Ravindra, Xavier R Advincula, Christoph Schran, Angelos Michaelides, Venkat Kapil
Quasi-one-dimensional hydrogen bonding in nanoconfined ice. Nature communications 15 (1) (2024)
Kara D Fong, Barbara Sumić, Niamh O'Neill, Christoph Schran, Clare P Grey, Angelos Michaelides
The Interplay of Solvation and Polarization Effects on Ion Pairing in Nanoconfined Electrolytes. Nano letters (2024)
Niamh O'Neill, Benjamin X Shi, Kara D Fong, Angelos Michaelides, Christoph Schran
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water. The journal of physical chemistry letters 15 (23) (2024)
Niamh O'Neill, Benjamin X Shi, Kara D Fong, Angelos Michaelides, Christoph Schran
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water. The journal of physical chemistry letters 15 (23) (2024)
Niamh O'Neill, Benjamin X Shi, Kara D Fong, Angelos Michaelides, Christoph Schran
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water. The journal of physical chemistry letters 15 (23) (2024)
T Dufils, Christoph Schran, Ji Chen, Andre K Geim, Laura Fumagalli, Angelos Michaelides
Origin of dielectric polarization suppression in confined water from first principles. Chemical science 15 (2) (2023)
T Dufils, Christoph Schran, Ji Chen, Andre K Geim, Laura Fumagalli, Angelos Michaelides
Origin of dielectric polarization suppression in confined water from first principles. Chemical science 15 (2) (2023)
Fabian L Thiemann, Christoph Schran, Patrick Rowe, Erich A Müller, Angelos Michaelides
Water Flow in Single-Wall Nanotubes: Oxygen Makes It Slip, Hydrogen Makes It Stick. ACS nano 16 (7) (2022)
Laura DuránCaballero, Christoph Schran, Fabien Brieuc, Dominik Marx
Neural network interaction potentials for para-hydrogen with flexible molecules. The Journal of chemical physics 157 (7) (2022)
Nicholas Clark, Daniel J Kelly, Mingwei Zhou, Yi-Chao Zou, Chang Woo Myung, David G Hopkinson, Christoph Schran, Angelos Michaelides, Roman V Gorbachev, Sarah J Haigh
Tracking single adatoms in liquid in a transmission electron microscope. Nature 609 (7929) (2022)
Richard Beckmann, Fabien Brieuc, Christoph Schran, Dominik Marx
Infrared Spectra at Coupled Cluster Accuracy from Neural Network Representations. Journal of chemical theory and computation 18 (9) (2022)
Venkat Kapil, Christoph Schran, Andrea Zen, Ji Chen, Chris J Pickard, Angelos Michaelides
The first-principles phase diagram of monolayer nanoconfined water. Nature 609 (7927) (2022)
Henrik R Larsson, Markus Schröder, Richard Beckmann, Fabien Brieuc, Christoph Schran, Dominik Marx, Oriol Vendrell
State-resolved infrared spectrum of the protonated water dimer: revisiting the characteristic proton transfer doublet peak. Chemical science 13 (37) (2022)
Christoph Schran, Fabian L Thiemann, Patrick Rowe, Erich A Müller, Ondrej Marsalek, Angelos Michaelides
Machine learning potentials for complex aqueous systems made simple. Proceedings of the National Academy of Sciences of the United States of America 118 (38) (2021)
Christoph Schran, Fabien Brieuc, Dominik Marx
Transferability of machine learning potentials: Protonated water neural network potential applied to the protonated water hexamer. The Journal of chemical physics 154 (5) (2021)
Christoph Schran, Krystof Brezina, Ondrej Marsalek
Committee neural network potentials control generalization errors and enable active learning. The Journal of chemical physics 153 (10) (2020)
Rafal Topolnicki, Fabien Brieuc, Christoph Schran, Dominik Marx
Deciphering High-Order Structural Correlations within Fluxional Molecules from Classical and Quantum Configurational Entropy. Journal of chemical theory and computation 16 (11) (2020)
Christoph Schran, Dominik Marx
Quantum nature of the hydrogen bond from ambient conditions down to ultra-low temperatures. Physical chemistry chemical physics : PCCP 21 (45) (2019)
Christoph Schran, Jörg Behler, Dominik Marx
Automated Fitting of Neural Network Potentials at Coupled Cluster Accuracy: Protonated Water Clusters as Testing Ground. Journal of chemical theory and computation 16 (1) (2019)
Miriam Wollenhaupt, Christoph Schran, Martin Krupička, Dominik Marx
Force-Induced Catastrophes on Energy Landscapes: Mechanochemical Manipulation of Downhill and Uphill Bifurcations Explains the Ring-Opening Selectivity of Cyclopropanes. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (7) (2018)
Christoph Schran, Fabien Brieuc, Dominik Marx
Converged Colored Noise Path Integral Molecular Dynamics Study of the Zundel Cation Down to Ultralow Temperatures at Coupled Cluster Accuracy. Journal of chemical theory and computation 14 (10) (2018)