Massimiliano Lupo Pasini

1. DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies
   2023/10/06 by Shuaiwen Leon Song, Bonnie Kruft, Song, Shuaiwen Leon +181 · 6 citations
   Biochemistry, Genetics and Molecular Biology · Decision Sciences · Materials Science · #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Genetics, Bioinformatics, and Biomedical Research #Machine Learning (cs.LG) #Machine Learning in Materials Science #Scientific Computing and Data Management
2. Scalable training of graph convolutional neural networks for fast and accurate predictions of HOMO-LUMO gap in molecules
   2022/07/22 by Jong Youl Choi, Choi, Jong Youl, Pei Zhang +7 · 2 citations
   Materials Science · Computer Science · #Machine Learning in Materials Science #Advanced Graph Neural Networks #Computational Drug Discovery Methods
3. Anderson acceleration with approximate calculations: applications to scientific computing
   2022/06/08 by Massimiliano Lupo Pasini, M. Paul Laiu, Pasini, Massimiliano Lupo +1 · 2 citations
   Computer Science · Mathematics · #65F10 #65F50 #65G30 #65G50 #65N12 #65N15 #65Y20 #65Z05 #68T01 #68W20 #68W40 #Advanced Data Storage Technologies #FOS: Mathematics #FOS: Physical sciences #G.1.10 #G.1.3 #Instrumentation and Methods for Astrophysics (astro-ph.IM) #Mathematical Physics (math-ph) #Matrix Theory and Algorithms #Numerical Analysis (math.NA) #Numerical methods for differential equations
4. A Neural Network Approach to Predict Gibbs Free Energy of Ternary Solid Solutions
   2022/09/12 by Paul Laiu, Laiu, Paul, Ying Yang +7 · 1 citation
   Computer Science · Materials Science · #Computational Drug Discovery Methods #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
5. Scaling Laws of Graph Neural Networks for Atomistic Materials Modeling
   2025/04/10 by Chaojian Li, Li, Chaojian, Zhifan Ye +11 · 3 citations
   Materials Science · #Machine Learning in Materials Science #Electron and X-Ray Spectroscopy Techniques #X-ray Diffraction in Crystallography