4 citations · 6 across the 15 of their papers we have counts for
3 papers · 1 filter
High-order Equivariant Flow Matching for Density Functional Theory Hamiltonian Prediction
Seongsu Kim, Nayoung Kim, Dongwoo Kim +1
Density functional theory (DFT) is a fundamental method for simulating quantum chemical properties, but it remains expensive due to the iterative self-consistent field (SCF) proces…
Flexible MOF Generation with Torsion-Aware Flow Matching
Nayoung Kim, Seongsu Kim, Sungsoo Ahn
Designing metal-organic frameworks (MOFs) with novel chemistries is a longstanding challenge due to their large combinatorial space and complex 3D arrangements of the building bloc…
Latent Veracity Inference for Identifying Errors in Stepwise Reasoning
Minsu Kim, Jean-Pierre Falet, Oliver E. Richardson +5
Chain-of-Thought (CoT) reasoning has advanced the capabilities and transparency of language models (LMs); however, reasoning chains can contain inaccurate statements that reduce pe…