Kin Long Kelvin Lee
- SymmCD: Symmetry-Preserving Crystal Generation with Diffusion Models
2025/02/05 by Daniel Lévy, Siba Smarak Panigrahi, Levy, Daniel +13 · 20 citations
Materials Science · #Crystallization and Solubility Studies #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)
- MatSciML: A Broad, Multi-Task Benchmark for Solid-State Materials Modeling
2023/09/12 by Kin Long Kelvin Lee, Carmelo Gonzales, Lee, Kin Long Kelvin +9 · 5 citations
Materials Science · #Machine Learning in Materials Science #X-ray Diffraction in Crystallography #Electron and X-Ray Spectroscopy Techniques
- Interstellar Detection of the Highly Polar Five-Membered Ring\n Cyanocyclopentadiene
2020/09/28 by Michael McCarthy, McCarthy, Michael C., Kin Long Kelvin Lee +23 · 2 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Astrophysics and Star Formation Studies #Astrophysics of Galaxies (astro-ph.GA) #Chemical Reactions and Mechanisms #FOS: Physical sciences #Molecular Spectroscopy and Structure
- 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)
- Energy & Force Regression on DFT Trajectories is Not Enough for Universal Machine Learning Interatomic Potentials
2025/02/05 by Santiago Miret, Miret, Santiago, Kin Long Kelvin Lee +7 · 2 citations
Materials Science · #Machine Learning in Materials Science
- OXtal: An All-Atom Diffusion Model for Organic Crystal Structure Prediction
2025/12/07 by Emily Jin, Andrei Cristian Nica, Jin, Emily +19 · 1 voice · 1 citation
Materials Science · Chemistry · Computer Science · #Machine Learning in Materials Science #Crystallography and molecular interactions #Computational Drug Discovery Methods