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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

The interplay of solvation and polarization effects on ion pairing in nanoconfined electrolytes
KD Fong, B Sumić, N O'Neill, C Schran, CP Grey, A Michaelides
– Nano Letters
(2024)
The interplay of solvation and polarization effects on ion pairing in nanoconfined electrolytes
K Fong, B Sumic, N O'Neill, C Schran, C Grey, A Michaelides
(2024)
Origin of dielectric polarization suppression in confined water from first principles
T Dufils, C Schran, J Chen, AK Geim, L Fumagalli, A Michaelides
– Chemical science
(2023)
15,
516
A quasi-one-dimensional hydrogen-bonded monolayer ice phase
P Ravindra, XR Advincula, C Schran, A Michaelides, V Kapil
(2023)
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water
N O'Neill, BX Shi, K Fong, A Michaelides, C Schran
(2023)
Manifestations of local supersolidity of He4 around a charged molecular impurity
F Brieuc, C Schran, D Marx
– Physical Review Research
(2023)
5,
043083
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
(2023)
130,
083001
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,
512
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Visitor

Telephone number

01223 336384 (shared)

Email address