INCARBench: A Benchmark for Scientific Configuration in VASP INCAR by Large Language Models

arXiv:2606.23571 · cond-mat.mtrl-sci, cs.AI · Submitted 2026-06-22 · Read on arXiv

cond-mat.mtrl-sci, cs.AI

Submitted: 2026-06-22

Updated: 2026-06-23

Terminology

• Benchmark — 2× in this paper · explained in 2 episodes
• Ab Initio — 1× in this paper · explained in 1 episode
• Accuracy — 1× in this paper · explained in 1 episode
• Language Models (LLMs) — 1× in this paper · explained in 2 episodes
• Large Language Models (LLMs) — 1× in this paper · explained in 8 episodes

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