11-02What Can ABACUS + DP Do Too? Interface-Controlled Phase Stability in Polymorphic HfO₂ Revealed by Machine-Learning Atomistic Simulations
10-30What Can DP Do Too? Deep Potential Molecular Dynamics Reproduces the Entire Cast-Rolling Process of 1xxx Aluminum Alloys
10-13What Can DP Do Too? Deep Potential Reveals Surface-Hydroxyl-Structure-Dependent Water Dissociation Mechanism in Bipolar Membranes
10-10What Can DP Do Too? Atomic-Scale Dislocation Nucleation in AgPd Nanoalloys via Deep Learning Potential
09-24What Can ABACUS Do Too? | Theoretical Study of TiO₂ Phase Stability through DFT+U and Machine Learning
09-04What Can ABACUS Do Too? | Enhanced Shift Current in GeTe/SnSe Heterostructures for Bulk Photovoltaic Effect
09-01What Can ABACUS Do Too? | A Unified Heterogeneous Implementation of Numerical Atomic Orbitals-Based Real-Time TDDFT within the ABACUS Package
09-01What Can Uni-Mol Do Too? | A Quantitative Electrostatic Potential Descriptor Enables Deep Learning-Accelerated Discovery of High-Performance Lithium-Ion Battery Electrolytes
08-2310 Million Atoms on a Single GPU, 2.048 Billion Atoms on a Thousand GPUs | DPA4C Debuts: The World's Fastest General Machine Learning Potential
07-28What Can DP Do too? | Microstructure and Thermophysical Properties of LiF-NaF-KF-ThF₄ Molten Salts: A Deep Potential Molecular Dynamics Study on Composition-Temperature Dependence