High-Throughput Optimization and Featurization of TSs and Catalytic Cycle Intermediates This repository contains scripts for high-throughput generation, optimization, and featurization of TSs and ...

Complex systems, due to their intrinsic nonlinearity, strong coupling and multi-objective characteristics, make mathematical modeling and solving an important challenge in theoretical research and ...

Gurobi AI Modeling Empowers Users with Accessible Optimization Resources New resources and AI-powered tools simplify the transition from real-world problems to mathematical models.