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The Computer Science and Modeling Laboratory (COSMO) at EPFL focuses on predictive modeling of materials and molecules using physics and data-driven models. By simulating matter at the atomic scale, the lab aims to optimize material properties based on fundamental physical principles. Their interdisciplinary expertise combines statistical physics, quantum chemistry, and materials engineering with data science and machine learning tools. COSMO addresses pressing societal issues through materials science, such as sustainable transportation and pharmaceutical compounds. The lab develops open-source tools and models to improve simulations, aiming for a better understanding of materials' properties and physical reality.