Elasticity and acoustic velocities of δ-AlOOH at extreme conditions: a methodology assessment

Unveiling a Family of Dimerized Quantum Magnets in Ternary Metal Borides

Melting Temperature of Iron Under the Earth’s Inner Core Condition from Deep Machine Learning

Exploring the Relationship between Composition and Li-Ion Conductivity in the Amorphous Li-La-Zr-O System

Principal component analysis enables the design of deep learning potential precisely capturing LLZO phase transitions

Low-coercive-field ferroelectric hafnia with mobile domain walls

Thermoelastic properties of bridgmanite using deep-potential molecular dynamics

Prediction of ambient pressure superconductivity in cubic ternary hydrides with MH6 octahedra

Strain effects on the lattice thermal conductivity of monolayer CrOCl: A first-principles study

Prediction of ambient pressure superconductivity in cubic ternary hydrides with MH6 octahedra

Deep-learning-based prediction of the tetragonal→cubic transition in davemaoite

High-throughput screening for boride superconductors

Unveiling the effect of Ni on the formation and structure of Earth's inner core

High-Throughput Screening for Boride Superconductors

Unveiling a Family of Dimerized Quantum Magnets, Conventional Antiferromagnets, and Nonmagnets in Ternary Metal Borides

Prediction of Van Hove singularity systems in ternary borides

Prediction of superconductivity in metallic boron-carbon compounds from 0 to 100 GPa by high-throughput screening

Metallization and spin fluctuations in Cu-doped lead apatite

Structural prediction of Fe-Mg-O compounds at super-Earth's pressures

Effect of doping on the phase stability and superconductivity in LaH₁₀

Prediction of Van Hove singularity systems in ternary borides

Unveiling the effect of Ni on the formation and structure of Earth’s inner core

Metallization and Spin Fluctuations in Cu-doped Lead Apatite

Structure and dynamics of Fe₉₀Si₃O₇ liquids close to Earth's liquid core conditions

Effect of Doping on the phase stability and Superconductivity in LaH10

Thermoelastic properties of bridgmanite using Deep Potential Molecular Dynamics

Structural prediction of Fe-Mg-O compounds at Super-Earth’s pressures

Mobility percolation as a source of Johari-Goldstein relaxation in glasses

Effect of nitrogen doping and pressure on the stability of LuH3

Establishment and validation of an electron inelastic mean free path database for narrow bandgap inorganic compounds with a machine learning approach

<i>Ab Initio</i> Melting Temperatures of Bcc and Hcp Iron Under the Earth's Inner Core Condition