2 papers
physics.ed-ph2025
scicode-widgets: Bringing Computational Experiments to the Classroom with Jupyter Widgets
Alexander Goscinski, Taylor James Baird, Dou Du +6
"Computational experiments" use code and interactive visualizations to convey mathematical and physical concepts in an intuitive way, and are increasingly used to support ex cathed…
physics.chem-ph2025
Exploring the design space of machine-learning models for quantum chemistry with a fully differentiable framework
Divya Suman, Jigyasa Nigam, Sandra Saade +5
Traditional atomistic machine learning (ML) models serve as surrogates for quantum mechanical (QM) properties, predicting quantities such as dipole moments and polarizabilities, di…