Christoph Schran
Christoph Schran
University College London
Verified email at rub.de
Title
Cited by
Cited by
Year
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
202016
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), 102310, 2018
162018
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
132017
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
92020
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
82018
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
32018
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
22019
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), 210901, 2020
12020
Deciphering High-order Structural Correlations within Fluxional Molecules from Classical and Quantum Configurational Entropy
R Topolnicki, F Brieuc, C Schran, D Marx
arXiv preprint arXiv:2006.13624, 2020
2020
Committee neural network potentials control generalization errors and enable active learning
C Schran, K Brezina, O Marsalek
arXiv preprint arXiv:2006.01541, 2020
2020
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Articles 1–10