Welcome to the Center for Advanced Computational Molecular Science (CACMS)
The Center for Advanced Computational Molecular Science (CACMS) at the University of Colorado Denver is a self-sustaining center of excellence dedicated to solving complex problems in science and engineering by merging quantum theory, artificial intelligence (AI), and computational molecular science. Our vision is to achieve global recognition for innovation in research, creativity in education, and successful workforce development, driving a large societal impact. The center focuses initially on health-related sciences, specifically addressing critical knowledge gaps in pharmaceutical sciences like drug target identification, lead compound discovery, and shortening the timeline for drug synthesis. Operating as a quasi-virtual collaboratorium, CACMS leverages global talent and collaborations without the need for costly on-campus computing facilities, ensuring a broad and effective application of our advanced computational tools.
Learn More About Us and Our Mission
The CACMS Team
The CACMS team is an interdisciplinary group of high-caliber faculty from the University of Colorado Denver's Department of Chemistry, uniting a diverse set of skills essential for advanced computational research. Led by the Director and Associate Director, our Principal Investigators and co-PIs bring specialized expertise across the core pillars of the Center. This collective knowledge spans Quantum Dynamics, Multiscale Modeling, Electronic Structures, Chemical Informatics, Computer-Aided Molecular Design (CAMD), and the cutting-edge area of AI-assisted Biomolecular Structures. This powerful combination of theoretical and computational chemists ensures the Center can effectively tackle complex, health-related science problems and drive innovation through collaboration and education.