QUASAR is a new autonomous LLM-based system that orchestrates multi-scale atomistic simulations and benchmarks as a general reasoning tool rather than a narrow automation script.
P.et al.Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis.Computational Materials Science68, 314–319 (2013)
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QUASAR: A Universal Autonomous System for Atomistic Simulation and a Benchmark of Its Capabilities
QUASAR is a new autonomous LLM-based system that orchestrates multi-scale atomistic simulations and benchmarks as a general reasoning tool rather than a narrow automation script.