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Current Position

Assistant Professor in Computational Atomic-Scale Materials Science at the Cavendish Laboratory, Department of Physics, University of Cambridge

Find out more about our work at https://www.fast-group.phy.cam.ac.uk/.

Research

Water remains the most fascinating liquid in our world. In order to provide new insights into aqueous phase behavior, I am developing machine learning methodology trained on accurate electronic structure calculations. In close collaboration with experiment, I apply these models to water in complex environments. Overall, my research aims at the modelling of aqueous systems at previously unreachable accuracy to provide reliable structural and dynamical insights into the aqueous phase.


Education

Undergraduate

  • Ruhr-University Bochum, Bachelor (2013) & Master (2015) of Science in Chemistry
  • Stanford University, Visiting graduate student (2015) in the group of Prof. Thomas Markland

Postgraduate

  • Ruhr-University Bochum, PhD (2016-2019) in the group of Prof. Dominik Marx, Title: "Properties of Hydrogen Bonding at Ultra-low Temperatures in Bosonic Quantum Solvents"
  • École Normale Supérieure, Visiting graduate student (2016) in the group of Prof. Rodolphe Vuilleumier
  • Charles University Prague, PostDoc (2019) in the group of Dr. Ondrej Marsalek
  • University College London (2020), PostDoc in the group of Prof. Angelos Michaelides

Publications

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, O Vendrell
– Chem Sci
(2022)
13,
11119
Infrared Spectra at Coupled Cluster Accuracy from Neural Network Representations.
R Beckmann, F Brieuc, C Schran, D Marx
– Journal of Chemical Theory and Computation
(2022)
18,
5492
Neural network interaction potentials for para-hydrogen with flexible molecules
L DuránCaballero, C Schran, F Brieuc, D Marx
– Journal of Chemical Physics
(2022)
157,
074302
Tracking single adatoms in liquid in a transmission electron microscope
N Clark, DJ Kelly, M Zhou, Y-C Zou, CW Myung, DG Hopkinson, C Schran, A Michaelides, R Gorbachev, SJ Haigh
– Nature
(2022)
609,
942
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
(2022)
16,
10775
Neural Network Interaction Potentials for para-Hydrogen with Flexible Molecules
LD Caballero, C Schran, F Brieuc, D Marx
(2022)
Water flow in single-wall nanotubes: Oxygen makes it slip, hydrogen makes it stick
FL Thiemann, C Schran, P Rowe, EA Müller, A Michaelides
(2022)
Infrared spectra at coupled cluster accuracy from neural network representations
R Beckmann, F Brieuc, C Schran, D Marx
(2022)
The first-principles phase diagram of monolayer nanoconfined water
V Kapil, C Schran, A Zen, J Chen, CJ Pickard, A Michaelides
(2021)
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 of the United States of America
(2021)
118,
e2110077118
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Visitor

Telephone number

01223 336384 (shared)

Email address