Spatial statistics for screening molecular structures

arXiv:2605.17147 · cond-mat.mtrl-sci, cond-mat.dis-nn, cond-mat.mes-hall · Submitted 2026-05-16 · Read on arXiv

cond-mat.mtrl-sci, cond-mat.dis-nn, cond-mat.mes-hall

Submitted: 2026-05-16

Updated: 2026-10-15

DOI: 10.1002/smll.76291

License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Terminology

• Active Learning — 1× in this paper · explained in 6 episodes
• Feature Engineering — 1× in this paper · explained in 3 episodes
• Inverse Design — 1× in this paper · explained in 2 episodes
• Latent Representation — 1× in this paper · explained in 2 episodes
• Latent Representations — 1× in this paper · explained in 3 episodes
• Surrogate Model — 1× in this paper · explained in 3 episodes
• Surrogate Models — 1× in this paper · explained in 2 episodes

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