Pressure-Stabilized Zinc Trifluoride

Local Carbon Concentration Determines the Graphene Edge Structure

Two-Dimensional Square-A₂B (A = Cu, Ag, Au, and B = S, Se): Auxetic Semiconductors with High Carrier Mobilities and Unusually Low Lattice Thermal Conductivities

Synthesis of Superconducting Cobalt Trihydride

Computational Discovery of Stable Heteroanionic Oxychalcogenides ABXO (A, B = Metals; X = S, Se, and Te) and Their Potential Applications

Combining Machine Learning Potential and Structure Prediction for Accelerated Materials Design and Discovery

Discovery of New Polymorphs of Gallium Oxides with Particle Swarm Optimization‐Based Structure Searches

Packing high-energy together: Binding the power of pentazolate and high-valence metals with strong bonds

Novel superhard boron-rich nitrides under pressure

Computational functionality‐driven design of semiconductors for optoelectronic applications