The African CMSET School provides an exceptional opportunity for researchers in computational materials science to advance their expertise in classical molecular dynamics (MD), density functional theory (DFT), ab initio molecular dynamics (AIMD), and High-Throughput Screening (HTS). By integrating fundamental concepts with hands-on training, the program emphasizes multiscale materials simulations—from the quantum level with DFT to the classical level with MD—and demonstrates how HTS can be leveraged alongside these methods to accelerate materials design. The school is intended for early-career researchers working in the fields of computational materials science and condensed matter physics, including predoctoral students, PhD candidates, postdoctoral fellows, and newly appointed researchers. Participants will benefit from both theoretical insights and practical skills through interactive lectures and training sessions.