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Papers matching “trajectory prediction” 3

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SPARC: A Computational Framework for Prediction of Infrared Spectra for Zeolitic Catalyst Systems via Machine Learning of Born Effective Charges and Atomic Velocities
2026 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

Hairong Cheng, Huarong Lei, Princy Jarngal, Peirong Chen, Abhishek Khetan

0

citations
Machine Learning Isotropic g Values of Radical Polymers
2024 Journal of Chemical Theory and Computation article Materials Science Machine Learning in Materials Science Open access

Davis Thomas Daniel, Souvik Mitra, Rüdiger‐A. Eichel, Diddo Diddens, Josef Granwehr

5

citations
A multitask latent space learning framework for modeling and inversion of structure–property relationships
2026 RWTH Publications (RWTH Aachen) dissertation Materials Science Machine Learning in Materials Science Open access

Tarek Iraki

0

citations

3 results