Papers matching “molecular machine learning” 57
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Gold Nanoparticle-Assisted Surface-Enhanced Raman Spectroscopy (SERS) with Machine Learning Tools for the Early Screening of Blood Serum for Tongue Cancer2026 Analytical Letters article Materials Science Gold and Silver Nanoparticles Synthesis and Applications
Areej, Haq Nawaz, Muhammad Irfan Majeed, Nosheen Rashid, Hafiza Elbadie Ahmed, Kinza Khan, +9 more
0citations -
Multi-objective optimization and quantum hybridization of equivariant deep learning interatomic potentials2026 Jyväskylä University Digital Archive (University of Jyväskylä) article Materials Science Machine Learning in Materials Science Open access
G. Laskaris, D. Morozov, D. Tarpanov, A. Seth, J. Procelewska, Gautam G. Sai, +3 more
0citations -
A symmetry-preserving and transferable representation for learning the Kohn-Sham density matrix2025 arXiv (Cornell University) preprint Materials Science Machine Learning in Materials Science Open access
Liwei Zhang, Patrizia Mazzeo, Michele Nottoli, Edoardo Cignoni, Lorenzo Cupellini, Benjamin Stamm
1citations -
Application of artificial neural networks for the prediction of interface mechanics: a study on grain boundary constitutive behavior2020 Advanced Modeling and Simulation in Engineering Sciences article Materials Science Microstructure and mechanical properties Open access
Mauricio Fernández, Shahed Rezaei, Jaber Rezaei Mianroodi, Felix Fritzen, Stefanie Reese
74citations