Follow
Christoph Schran
Christoph Schran
Assistant Professor, Department of Physics, University of Cambridge
Verified email at cam.ac.uk - Homepage
Title
Cited by
Cited by
Year
Machine learning potentials for complex aqueous systems made simple
C Schran, FL Thiemann, P Rowe, EA Müller, O Marsalek, A Michaelides
Proceedings of the National Academy of Sciences 118 (38), e2110077118, 2021
1112021
Committee neural network potentials control generalization errors and enable active learning
C Schran, K Brezina, O Marsalek
The Journal of chemical physics 153 (10), 104105, 2020
1002020
Automated Fitting of Neural Network Potentials at Coupled Cluster Accuracy: Protonated Water Clusters as Testing Ground
C Schran, J Behler, D Marx
Journal of chemical theory and computation 16 (1), 88-99, 2020
982020
The first-principles phase diagram of monolayer nanoconfined water
V Kapil, C Schran, A Zen, J Chen, CJ Pickard, A Michaelides
Nature 609, 512–516, 2022
972022
High-dimensional neural network potentials for solvation: The case of protonated water clusters in helium
C Schran, F Uhl, J Behler, D Marx
The Journal of Chemical Physics 148 (10), 2018
352018
Unravelling the influence of quantum proton delocalization on electronic charge transfer through the hydrogen bond
C Schran, O Marsalek, TE Markland
Chemical Physics Letters 678, 289-295, 2017
352017
Water flow in single-wall nanotubes: Oxygen makes it slip, hydrogen makes it stick
FL Thiemann, C Schran, P Rowe, EA Müller, A Michaelides
ACS nano 16 (7), 10775-10782, 2022
312022
Correlated particle motion and THz spectral response of supercritical water
M Śmiechowski, C Schran, H Forbert, D Marx
Physical review letters 116 (2), 027801, 2016
302016
Tracking single adatoms in liquid in a transmission electron microscope
N Clark, DJ Kelly, M Zhou, YC Zou, CW Myung, DG Hopkinson, C Schran, ...
Nature 609 (7929), 942-947, 2022
292022
Converged Colored Noise Path Integral Molecular Dynamics Study of the Zundel Cation Down to Ultralow Temperatures at Coupled Cluster Accuracy
C Schran, F Brieuc, D Marx
Journal of chemical theory and computation 14 (10), 5068-5078, 2018
292018
Transferability of machine learning potentials: Protonated water neural network potential applied to the protonated water hexamer
C Schran, F Brieuc, D Marx
The Journal of Chemical Physics 154 (5), 2021
222021
Converged quantum simulations of reactive solutes in superfluid helium: The Bochum perspective
F Brieuc, C Schran, F Uhl, H Forbert, D Marx
The Journal of Chemical Physics 152 (21), 2020
212020
Quantum nature of the hydrogen bond from ambient conditions down to ultra-low temperatures
C Schran, D Marx
Physical Chemistry Chemical Physics 21 (45), 24967-24975, 2019
212019
Infrared spectra at coupled cluster accuracy from neural network representations
R Beckmann, F Brieuc, C Schran, D Marx
Journal of Chemical Theory and Computation 18 (9), 5492-5501, 2022
162022
Force‐Induced Catastrophes on Energy Landscapes: Mechanochemical Manipulation of Downhill and Uphill Bifurcations Explains the Ring‐Opening Selectivity of Cyclopropanes
M Wollenhaupt, C Schran, M Krupička, D Marx
ChemPhysChem 19 (7), 837-847, 2018
162018
A foundation model for atomistic materials chemistry
I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ...
arXiv preprint arXiv:2401.00096, 2023
132023
State-resolved infrared spectrum of the protonated water dimer: Revisiting the characteristic proton transfer doublet peak
HR Larsson, M Schröder, R Beckmann, F Brieuc, C Schran, D Marx, ...
Chemical Science 13 (37), 11119-11125, 2022
82022
Crumbling Crystals: On the Dissolution Mechanism of NaCl in Water
N O'Neill, C Schran, SJ Cox, A Michaelides
arXiv preprint arXiv:2211.04345, 2022
62022
Deciphering High-order Structural Correlations within Fluxional Molecules from Classical and Quantum Configurational Entropy
R Topolnicki, F Brieuc, C Schran, D Marx
Journal of Chemical Theory and Computation 16 (11), 6785-6794, 2020
62020
Onset of Rotational Decoupling for a Molecular Ion Solvated in Helium: From Tags to Rings and Shells
JA Davies, C Schran, F Brieuc, D Marx, AM Ellis
Physical Review Letters 130 (8), 083001, 2023
42023
The system can't perform the operation now. Try again later.
Articles 1–20