Accelerating Catalyst Discovery with SandboxAQ’s AQCAT and Claude

Discover how AQCAT, SandboxAQ's Spinaware ML engine for heterogeneous catalysis, is revolutionizing the catalyst discovery workflow. By pairing AQCAT with Anthropic's Claude, researchers can turn dense density functional theory (DFT) grade absorption workflows into interactive, code-free answers in just minutes. In this video, see how the AI orchestrates AQCAT to automatically generate slabs, place molecules (like carbon monoxide), relax structures, and compute minimum binding energies across various alloy compositions and facets. AQCAT provides near-DFT insight without the high computational cost, allowing you to bypass tedious modeling and focus your lab work entirely on the most promising candidates for scaleup. Learn more about what's next at sandboxaq.com.