14 citations · 16 across the 3 of their papers we have counts for
3 papers
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…
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…
Electronic excited states from physically-constrained machine learning
Edoardo Cignoni, Divya Suman, Jigyasa Nigam +3
Data-driven techniques are increasingly used to replace electronic-structure calculations of matter. In this context, a relevant question is whether machine learning (ML) should be…