Ab initio simulation of excited-state potential energy surfaces with transferable deep quantum Monte Carlo
Nature · By Zeno Schätzle ·
Nature Computational Science, Published online: 06 November 2026; doi:10.1038/s43588-026-01065-y Transferable deep-learning quantum Monte Carlo for molecular excited states is introduced. Sharing parameters, an ansatz represents the wavefunction across molecular geometries and…