Lv5
1330 积分 2023-07-04 加入
A universal spin–orbit-coupled Hamiltonian model for accelerated quantum material discovery
1个月前
已完结
Transferable machine learning approach for predicting electronic structures of charged defects
1个月前
已完结
Atomic displacement threshold energies and defect generation in GaN, AlN, and AlGaN: A high-throughput molecular dynamics investigation
1个月前
已完结
Radiation Effects in Solids
4个月前
已关闭
Deep-learning electronic structure calculations
7个月前
已完结
A universal graph deep learning interatomic potential for the periodic table
8个月前
已完结
Modeling the impact of structure and coverage on the reactivity of realistic heterogeneous catalysts
8个月前
已完结
Flow matching for accelerated simulation of atomic transport in crystalline materials
9个月前
已完结
Accelerating the calculation of electron–phonon coupling strength with machine learning
9个月前
已完结
Generating Minimal Training Sets for Machine Learned Potentials
9个月前
已完结
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