Frank Noé's Team Applies DeepQMC to Molecular and Iron-Sulfur Cluster Benchmark Calculations

Frank Noé's team released new DeepQMC results, benchmarking excited states of CH2NH2+ and carbon dimer against high-accuracy references, and precisely computing the spin-crossing surface of the Fe(SH)₄²⁻ cluster in Rubredoxin.

2026-11-07 ~ 2026-11-07 · 2 related posts

• DeepQMC benchmarks excited states of C2 and methylenimmonium against high-level references — FrankNoeBerlin · 2026-11-07
• Frank Noe shares DeepQMC results for rubredoxin Fe(SH)4 cluster spin-crossing surfaces — FrankNoeBerlin · 2026-11-07