26 citations · 38 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2025
Equivariant Diffusion for Crystal Structure Prediction
Peijia Lin, Pin Chen, Rui Jiao +6
In addressing the challenge of Crystal Structure Prediction (CSP), symmetry-aware deep learning models, particularly diffusion models, have been extensively studied, which treat CS…
cond-mat.mtrl-sci2025★ 12 cited
Unraveling Antagonistic Collision-Controlled Reactivity in Energetic Molecular Perovskites with Deep Potential Molecular Dynamics
Ming-Yu Guo, Yun-Fan Yan, Pin Chen +1
The precise regulation of chemical decompositions in energetic materials, whether towards rapid ignition or stable endurance, requires atomic-scale principles governing reactivity,…
cond-mat.mtrl-sci2023★ 26 cited
Crystal Structure Prediction by Joint Equivariant Diffusion
Rui Jiao, Wenbing Huang, Peijia Lin +4
Crystal Structure Prediction (CSP) is crucial in various scientific disciplines. While CSP can be addressed by employing currently-prevailing generative models (e.g. diffusion mode…