Atmospheric ice nucleation is crucial for global precipitation and affects the structure, lifetime
and reflectivity of clouds, thereby impacting climate. Ice nucleates in various ways from …

Amorphous ices govern a range of cosmological processes and are potentially key materials
for explaining the anomalies of liquid water. A substantial density gap between low-density …

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 …

Water ice exists in hugely different environments, artificially or naturally occurring ones
across the universe. The phase diagram of crystalline phases of ice is still under …

Ice, one of the most enigmatic materials on Earth, exhibits diverse polymorphism, with
research mainly focusing on the most commonly observed phases: hexagonal ice (Ih), cubic …

Currently, computational materials science involves human–computer interaction through
coding in software or neural networks. There is still no direct way for human intelligence …

We study the nuclear quantum effects (NQE) on the thermodynamic properties of low-density
amorphous ice (LDA) and hexagonal ice (I h) at P= 0.1 MPa and T≥ 25 K. Our results are …

Ice is one of the most important and interesting molecular crystals, exhibiting a rich and
evolving phase diagram. Recent discoveries mean that there are now 20 distinct …

Icing, a common natural phenomenon, always originates from a molecule. Molecular
simulation is crucial for understanding the relevant process but still faces a great challenge …

Local stretching force constants derived from periodic local vibrational modes at the vdW-
DF2 density functional level have been employed to quantify the intrinsic hydrogen bond …