Miao Liu

activity

20232026

most citedGPTFF: A high-accuracy out-of-the-box universal AI force field for arbitrary inorganic materials

47 citations · 100 across the 15 of their papers we have counts for

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physics.chem-ph2026

Graph Neural Network Force Fields (GPTFF-mol) for Organic Molecules from Optimization Trajectories (OpenGEM26)

Yifan Huang, Fankai Xie, Jiangnan Zheng +3

Density functional theory (DFT) serves as a reliable tool for atomistic molecular simulations, while machine learning potentials have become powerful complements to balance accurac…

physics.chem-ph2023★ 5 cited

Weberite Na $_{2}$ MM'F $_{7}$ (M,M'=Redox-Active Metal) as Promising Fluoride-Based Sodium-Ion Battery Cathodes

Tenglong Lu, Sheng Meng, Miao Liu

Sodium-ion batteries are a viable alternative to lithium-ion technology due to the plentiful sodium resources. However, certain commercialization challenges, such as low specific e…

Graph Neural Network Force Fields (GPTFF-mol) for Organic Molecules from Optimization Trajectories (OpenGEM26)

Weberite Na2​MM'F7​ (M,M'=Redox-Active Metal) as Promising Fluoride-Based Sodium-Ion Battery Cathodes

Weberite Na $_{2}$ MM'F $_{7}$ (M,M'=Redox-Active Metal) as Promising Fluoride-Based Sodium-Ion Battery Cathodes