1.1k citations
- University College LondonGB378 papers
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Showing 2017 · physics.chem-phShow all
3 papers · 2 filters
physics.chem-ph2017★ 75 cited
What Makes a Good Descriptor for Heterogeneous Ice Nucleation on OH-Patterned Surfaces
Philipp Pedevilla, Martin Fitzner, Angelos Michaelides
Freezing of water is arguably one of the most common phase transitions on Earth and almost always happens heterogeneously. Despite its importance, we lack a fundamental understandi…
physics.chem-ph2017★ 71 cited
Simultaneous Deep Tunneling and Classical Hopping for Hydrogen Diffusion on Metals
W. Fang, J. O. Richardson, J. Chen +2
Hydrogen diffusion on metals exhibits rich quantum behavior, which is not yet fully understood. Using simulations, we show that many hydrogen diffusion barriers can be categorized…
physics.chem-ph2017★ 17 cited
Structure-Dynamics Relation in Physically-Plausible Multi-Chromophore Systems
George C. Knee, Patrick Rowe, Luke D. Smith +2
We study a large number of physically-plausible arrangements of chromophores, generated via a computational method involving stochastic real-space transformations of a naturally oc…