Thanks to the development of experimental high-pressure techniques and methods for
crystal-structure prediction based on quantum mechanics, in the past decade, numerous …

Crystal structure predictions based on first-principles calculations have gained great
success in materials science and solid state physics. However, the remaining challenges …

Revealing the microscopic structural and dynamic pictures of glasses is a long-standing
challenge for scientists,. Extensive studies on the structure and relaxation dynamics of …

Water in Earth's deep interior is predicted to be hydroxyl (OH−) stored in nominally
anhydrous minerals, profoundly modulating both structure and dynamics of Earth's mantle …

Superconducting and superionic behaviors have physically intriguing dynamic properties of
electrons and ions, respectively, both of which are conceptually important and have great …

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

Abstract Magnesium Oxide (MgO) and water (H2O) are abundant in the interior of planets.
Their properties, and in particular their interaction, significantly affect the planet interior …

Pressure, a fundamental thermodynamic variable, can generate two essential effects on
materials. First, pressure can create new high-pressure phases via modification of 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 …

Recent advances in high-pressure technologies and large-scale experimental and
computational facilities have enabled scientists, at an unprecedented rate, to discover and …