2 papers
physics.chem-ph2026
LLM-Guided Test-Time Discovery of Quantum-Chemical Approximation Algorithms
Masaya Hagai, Yuta Suzuki, Tomoya Murata +2
Quantum chemistry simulations underpin modern materials discovery, yet their impact is limited by steep computational cost and dependence on fixed approximation schemes. Foundation…
cs.LG2026
LapidaryEngine: Fully Conversational Crystal Generation
Yusei Ito, Yuta Suzuki, Tomoya Murata +1
The emergence of Large Language Models (LLMs) has inspired the vision of generating bespoke crystal materials directly from natural-language instructions, enabling users to design…