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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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cond-mat.str-el2024

Chemical versus physical pressure effects on the structure transition of bilayer nickelates

Gang Wang, Ningning Wang, Tenglong Lu +11

The observation of high- superconductivity (HTSC) in concomitant with pressure-induced orthorhombic-tetragonal structural transition in the bilayer LaNiO has spa…

cond-mat.mtrl-sci2024★ 47 cited

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

Fankai Xie, Tenglong Lu, Sheng Meng +1

This study introduces a novel AI force field, namely graph-based pre-trained transformer force field (GPTFF), which can simulate arbitrary inorganic systems with good precision and…

cond-mat.mtrl-sci2024★ 1 cited

Recent Breakthrough in AI-Driven Materials Science: Tech Giants Introduce Groundbreaking Models

Miao Liu, Sheng Meng

A close look of Google's GNoME inorganic materials dataset [Nature 624, 80 (2023)], and 11 things you would like to know.