01-10What Can ABACUS Do Too? | Research on the Multiple Hyperuniformity of High-Entropy Two-Dimensional Material MXene with More Than a Thousand Atoms
01-09DeepFlame 1.5 Released, Fully Compatible with ARM Architecture, New Buoyancy-Driven Solver Added
01-07What Can ABACUS Do Too? | Explore the Anomaly of Spin Polarization in CrTe2 Thin Films by Combining with TB2J Software
01-02What Can ABACUS Do Too? | Explain the Formation Mechanism of Conductive Filaments in RRAM Based on TiOx/MoS2–xOx Structure Induced by S Vacancies
12-31ABACUS 3.9 Released | Significantly Improved Efficiency in Plane Wave Basis Set Calculations and New Constant Potential Simulation Function
12-30What Can Uni-Mol Do Too? | Active Molecule Search from Large-Scale Molecular Libraries without Protein Structures
12-27What Can DP Do too? | DeePMD Helps Reveal the Phase-Transformation-Induced Plasticity Mechanism in Zirconia Shape Memory Ceramics
12-25What Can Uni-Mol Do Too? | Combining 3D Geometry and Text, Ushering in a New Era of Molecular Multimodal Learning
12-23What Can ABACUS Do Too? | Microscopic Probing Combined with DFT (ABACUS+TB2J) to Explore the Microscopic Magnetism of GeFe₃N Material
12-19What Can DP Do too? | Science Sub-journal, Understanding More Realistic Solutions, ML Force Field Speeds Up by Six Orders of Magnitude, More Efficiently Representing the Spatiotemporal Relationship of Water Molecules