physics.chem-ph

Papers

• My Chemical Harness: Evolutionary Molecular Design over Synthetic Pathways with Large Language Model Agents (2026)
  C\'esar Ojeda et al.
  5.01
• A Multi-Level Architecture for Reusable Materials Ontologies -- The OntoCrafter Ceramics Ontology (OCO) as Reference Implementation (2026)
  Thomas Pannek et al.
  4.39
• Noise-Driven Escape from Metastable Phases explains Grokking in Deep Neural Networks (2026)
  Ibrahim Talha Ersoy et al.
  4.39
• Force-Aware Neural Tangent Kernels for Scalable and Robust Active Learning of MLIPs (2026)
  Eszter Varga-Umbrich et al.
  2.00