Lv11
60 积分 2026-07-21 加入
Convergence and machine learning predictions of Monkhorst-Pack k-points and plane-wave cut-off in high-throughput DFT calculations
1小时前
待确认
High-order pair-reduced neural network architecture for global potential energy surface exploration across the periodic table
1个月前
已完结
Quasi-Classical Trajectory Calculation of Rate Constants Using an Ab Initio Trained Machine Learning Model (aML-MD) with Multifidelity Data
1个月前
已完结
Deep learning interatomic potential for metal-doped silicon carbide nanotubes: Development, validation, and mechanical response
1个月前
已完结
Exploring Accurate Potential Energy Surfaces via Integrating Variational Quantum Eigensolver with Machine Learning
1个月前
已完结
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