01-22What Can Uni-Mol Do Too? | Uni-Mol Docking Combined with BindingNet v2 Outperforms AlphaFold3 on Low-Similarity Molecules
01-20What Can ABACUS Do Too? | First-Principles Calculation Elucidates the Mechanism of Two-Dimensional Materials Regulating Complex Oxides
01-16What Can DP Do too? | DeePMD Facilitates the Study of Ion Diffusion Mechanism in Li₆PS₅Cl Solid Electrolyte
01-15What Can ABACUS Do Too? | ABACUS + DeepH + KPROJ: Unraveling the Electronic Structure of MoSe₂/WSe₂ Moiré Lattices
01-13What Can DP Do too? | Simulating Ferroelectric Topological Structures with Deep Learning Potentials
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