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

Quantum Nuclear Delocalization and its Rovibrational Fingerprints
I Simkó, C Schran, F Brieuc, C Fábri, O Asvany, S Schlemmer, D Marx, AG Császár
Angewandte Chemie
(2023)
135
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
Phys Rev Lett
(2023)
130
Understanding the anomalously low dielectric constant of confined water: an ab initio study
T Dufils, C Schran, J Chen, AK Geim, L Fumagalli, A Michaelides
(2022)
Crumbling Crystals: On the Dissolution Mechanism of NaCl in Water
N O'Neill, C Schran, SJ Cox, A Michaelides
(2022)
The first-principles phase diagram of monolayer nanoconfined water
V Kapil, C Schran, A Zen, J Chen, CJ Pickard, A Michaelides
Nature
(2022)
609
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
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
Neural network interaction potentials for para -hydrogen with flexible molecules
L DuránCaballero, C Schran, F Brieuc, D Marx
The Journal of Chemical Physics
(2022)
157
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
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

Visitor

Telephone number

01223 336384 (shared)

Email address