Pressures in the hydrospheres of large ocean worlds extend to ranges exceeding those in
Earth deepest oceans. In this regime, dense water ices and other high-pressure phases …

Using the Deep Potential methodology, we construct a model that reproduces accurately the
potential energy surface of the SCAN approximation of density functional theory for water …

In the phase diagram of water, superionic ices with highly mobile protons within the stable
oxygen sublattice have been predicted at high pressures. However, the existence of …

Water confined in nanopores is ubiquitous in geological, planetary and biological
environments and in nanofluidic settings. Understanding the phase behaviour and proton …

Hydrogen bond symmetrisation is the phenomenon where a hydrogen atom is located at the
centre of a hydrogen bond. Theoretical studies predict that hydrogen bonds in ice VII …

We introduce a deep neural network to model in a symmetry preserving way the
environmental dependence of the centers of the electronic charge. The model learns from …

Despite the abundance of water's crystalline polymorphs, the growth mechanisms of most
ice forms remain poorly understood. This study applies extensive molecular dynamics (MD) …

Superionic states are phases of matter that can simultaneously exhibit some of the
properties of a liquid and of a solid. For example, in superionic ice, hydrogen atoms can …

The current epoch can be described as the 'age of ice-rush', as the rate of discovery of ice
polymorphs, of which there are currently 20 known, has accelerated, particularly since the …

Both helium and ammonia are main components of icy giant planets. While ammonia is very
reactive, helium is the most inert element in the universe. It is of great interest whether …