Natural language DFT calculations AI agent 'LatticeMind'
AI agent that assembles DFT calculations in natural language.
LatticeMind is an AI agent for materials science. By simply communicating what you want to calculate in plain language, it automatically handles everything from workflow planning, building crystal and device structures, generating and validating solver input files, executing calculations on local or HPC clusters, to report generation. The core solver uses the density functional theory (DFT) solver RESCU.
