44 citations · 170 across the 8 of their papers we have counts for
14 papers
Understanding the anomalously low dielectric constant of confined water: an ab initio study
Thomas Dufils, Christoph Schran, Ji Chen +3
Recent experiments have shown that the out-of-plane dielectric constant of water confined in nanoslits of graphite and hexagonal boron nitride (hBN) is vanishingly small. Despite e…
Crumbling Crystals: On the Dissolution Mechanism of NaCl in Water
Niamh O'Neill, Christoph Schran, Stephen J. Cox +1
Life on Earth depends upon the dissolution of ionic salts in water, particularly NaCl. However, an atomistic scale understanding of the process remains elusive. Simulations lend th…
Tracking single atoms in a liquid environment
Nicholas Clark, Daniel J. Kelly, Mingwei Zhou +7
The chemical behaviour of single metal atoms largely depends on the local coordination environment, including interactions with the substrate and with the surrounding gas or liquid…
Water flow in single-wall nanotubes: Oxygen makes it slip, hydrogen makes it stick
Fabian L Thiemann, Christoph Schran, Patrick Rowe +2
Experimental measurements have reported ultra-fast and radius-dependent water transport in carbon nanotubes which are absent in boron nitride nanotubes. Despite considerable effort…
Machine learning potentials for complex aqueous systems made simple
Christoph Schran, Fabian L. Thiemann, Patrick Rowe +3
Simulation techniques based on accurate and efficient representations of potential energy surfaces are urgently needed for the understanding of complex aqueous systems such as soli…
Correlated Particle Motion and THz Spectral Response of Supercritical Water
Maciej Śmiechowsk, Christoph Schran, Harald Forbert +1
Molecular dynamics simulations of supercritical water reveal distinctly different distance-dependent modulations of dipolar response and correlations in particle motion compared to…