16 citations · 59 across the 13 of their papers we have counts for
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physics.chem-ph2023★ 10 cited
Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction
Yuchao Lin, Keqiang Yan, Youzhi Luo +3
We study property prediction for crystal materials. A crystal structure consists of a minimal unit cell that is repeated infinitely in 3D space. How to accurately represent such re…
physics.chem-ph2023★ 3 cited
QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules
Haiyang Yu, Meng Liu, Youzhi Luo +4
Supervised machine learning approaches have been increasingly used in accelerating electronic structure prediction as surrogates of first-principle computational methods, such as d…