Uploaded May 2026 | Updated September 2026, 2 weeks ago
SandboxAQ's AQCat Adsorption Spin is now accessible through LLMs. Materials scientists can predict adsorption energies, identify binding energy crossover points, and screen catalyst compositions through natural language prompts, without writing a single line of code.
Until now, catalyst discovery required time-intensive DFT simulations: manual slab generation, structure relaxation, and deep computational expertise. With Claude orchestrating AQCat as a natural language interface to SandboxAQ's spin-aware ML engine, any researcher can get near-DFT insight in minutes, not days, and focus costly lab work only on the most promising candidates.
#sandboxaq #lqms #aqchemsim
SandboxAQ's AQCat Adsorption Spin is now accessible through LLMs. Materials scientists can predict adsorption energies, identify binding energy crossover points, and screen catalyst compositions through natural language prompts, without writing a single line of code.
Until now, catalyst discovery required time-intensive DFT simulations: manual slab generation, structure relaxation, and deep computational expertise. With Claude orchestrating AQCat as a natural language interface to SandboxAQ's spin-aware ML engine, any researcher can get near-DFT insight in minutes, not days, and focus costly lab work only on the most promising candidates.
#sandboxaq #lqms #aqchemsim
