36 citations · 42 across the 2 of their papers we have counts for
3 papers
A strategic roadmap for an atomistic machine-learning ecosystem
Jörg Behler, Michele Ceriotti, Cecilia Clementi +47
Data-driven machine learning (ML) techniques have become an essential tool in many domains of science. Their application to atomistic simulations of matter is particularly widespre…
Could ChatGPT get an Engineering Degree? Evaluating Higher Education Vulnerability to AI Assistants
Beatriz Borges, Negar Foroutan, Deniz Bayazit +87
AI assistants are being increasingly used by students enrolled in higher education institutions. While these tools provide opportunities for improved teaching and education, they a…
Isotope effects in the electronic spectra of ammonia from ab initio semiclassical dynamics
Ēriks Klētnieks, Yannick Calvino Alonso, Jiří J. L. Vaníček
Despite its simplicity, the single-trajectory thawed Gaussian approximation has proven useful for calculating vibrationally resolved electronic spectra of molecules with weakly anh…