3k citations · 12.3k across the 119 of their papers we have counts for
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Effects of surface interactions on heterogeneous ice nucleation for a monatomic water model
Aleks Reinhardt, Jonathan P. K. Doye
Despite its importance in atmospheric science, much remains unknown about the microscopic mechanism of heterogeneous ice nucleation. In this work, we perform hybrid Monte Carlo sim…
Computing phase diagrams for a quasicrystal-forming patchy-particle system
Aleks Reinhardt, Flavio Romano, Jonathan P. K. Doye
We introduce an approach to computing the free energy of quasicrystals, which we use to calculate phase diagrams for systems of two-dimensional patchy particles with five regularly…
Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water
Aleks Reinhardt, Jonathan P. K. Doye, Eva G. Noya +1
We present a local order parameter based on the standard Steinhardt-Ten Wolde approach that is capable both of tracking and of driving homogeneous ice nucleation in simulations of…
Free energy landscapes for homogeneous nucleation of ice for a monatomic water model
Aleks Reinhardt, Jonathan P. K. Doye
We simulate the homogeneous nucleation of ice from supercooled liquid water at 220 K in the isobaric-isothermal ensemble using the MW monatomic water potential. Monte Carlo simulat…
Self-assembly, modularity and physical complexity
S. E. Ahnert, I. G. Johnston, T. M. A. Fink +2
We present a quantitative measure of physical complexity, based on the amount of information required to build a given physical structure through self-assembly. Our procedure can b…
Preferential attachment during the evolution of a potential energy landscape
Claire P. Massen, Jonathan P. K. Doye
It has previously been shown that the network of connected minima on a potential energy landscape is scale-free, and that this reflects a power-law distribution for the areas of th…