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AInstein: numerical Einstein metrics via machine learning
Edward Hirst, Tancredi Schettini Gherardini, Alexander G Stapleton
2025, 1(2): 025001. DOI: 10.1088/3050-287X/ae1117
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Surface stability modeling with universal machine learning interatomic potentials: a comprehensive cleavage energy benchmarking study
Ardavan Mehdizadeh, Peter Schindler
2025, 1(2): 025002. DOI: 10.1088/3050-287X/ae1408
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TorchSim: an efficient atomistic simulation engine in PyTorch
Orion Cohen, Janosh Riebesell, Rhys Goodall, Adeesh Kolluru, Stefano Falletta, Joseph Krause, Jorge Colindres, Gerbrand Ceder, Abhijeet S Gangan
2025, 1(2): 025003. DOI: 10.1088/3050-287X/ae1799
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Graph learning metallic glass discovery from Wikipedia
Kaichen Ouyang, Shiyun Zhang, Song-Ling Liu, Jiachuan Tian, Yuanhao Li, Hua Tong, Hai-Yang Bai, Wei-Hua Wang, Yuan-Chao Hu
2025, 1(2): 025004. DOI: 10.1088/3050-287X/ae1b20
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Universal machine learning potentials for systems with reduced dimensionality
Giulio Benedini, Antoine Loew, Matti Hellström, Silvana Botti, Miguel A L Marques
2025, 1(2): 025005. DOI: 10.1088/3050-287X/ae1208
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Learning to be simple
Yang-Hui He, Vishnu Jejjala, Mishra Challenger, Em Sharnoff
2025, 1(2): 025006. DOI: 10.1088/3050-287X/ae1d98
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Investigating CO adsorption on Cu(111) and Rh(111) surfaces using machine learning exchange-correlation functionals
Xinyuan Liang, Renxi Liu, Mohan Chen
2025, 1(2): 025007. DOI: 10.1088/3050-287X/ae21fa
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