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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.