I am truly excited to share our latest work with @mscherbela.bsky.social, Philipp Grohs, and @guennemann on "Accurate Ab-initio Neural-network Solutions to Large-Scale Electronic Structure Problems"!
arxiv.org/abs/2504.06087
We present finite-range embeddings (FiRE), a novel wave function ansatz for accurate large-scale ab-initio electronic structure calculations. Compared to contemporary neural-network wave functions, Fi...