Carmelo Gonzales

1. MatSciML: A Broad, Multi-Task Benchmark for Solid-State Materials Modeling
   2023/09/12 by Kin Long Kelvin Lee, Lee, Kin Long Kelvin, Carmelo Gonzales +9 · 5 citations
   Materials Science · #Machine Learning in Materials Science #X-ray Diffraction in Crystallography #Electron and X-Ray Spectroscopy Techniques
2. Using Multiple Vector Channels Improves E(n)-Equivariant Graph Neural Networks
   2023/09/06 by Daniel Lévy, Sékou-Oumar Kaba, Levy, Daniel +7 · 3 citations
   Computer Science · Materials Science · #Computational Physics and Python Applications #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Topic Modeling
3. Evaluating Universal Machine Learning Force Fields Against Experimental Measurements
   2025/08/07 by Sajid Mannan, Vaibhav Bihani, Mannan, Sajid +13 · 1 voice · 4 citations
   Computer Science · #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)
4. Energy & Force Regression on DFT Trajectories is Not Enough for Universal Machine Learning Interatomic Potentials
   2025/02/05 by Santiago Miret, Kin Long Kelvin Lee, Miret, Santiago +7 · 2 citations
   Materials Science · #Machine Learning in Materials Science