Thermal Computational Fluid Dynamics (CFD) models analyze airflow and heat distribution in data centers, but their complex computations hinder efficient energy-saving optimizations for sustainability. We introduce a new method to acquire data and model 3D Convolutional Neural Network (CNN) based surrogates for CFDs, which predict a data center's temperature distribution based on server workload, HVAC airflow rate, and temperature set points. The surrogate model's predictions are highly accurate,…