We are a multi-disciplinary collection of scientists with shared interests in theory and computing. We are egalitarians who believe all people have equal rights and should have equal opportunities, and we believe in being fair, honest and working collaboratively. These ideas and ethics are from where we came, and, upon which we stand as teachers, researchers and neighbors – no matter how far apart in distance we are.
The members of this self-organized Center have disparate backgrounds in their formal training but are connected by a common thread of developing computational tools needed by others for societal advancement. Some of us were formally trained in mathematics, engineering, and physics as well as in the chemical sciences. This inherent multi-disciplinarity makes it easy for us to be advocates of collaboration in technical areas that transcend traditional disciplinary boundaries. This Center, in that regard, can be viewed as a Collaboratorium, where we live in a virtual space. Accordingly, if you live nearby within our city or far from us on a different continent, we would be interested in working with you and learning from you.
Our Mission and Vision: Driving Innovation at the Intersection of Computation and Molecular Science
The Center for Advanced Computational Molecular Science (CACMS) is a self-sustaining center of excellence at the University of Colorado Denver. Our core mission is to solve the most complex challenges in science and engineering by seamlessly merging quantum theory, artificial intelligence (AI), and computational molecular science. We aim to be globally recognized for innovation in research, creativity in education, and successful workforce development, ultimately driving large-scale societal impact.
What We Do: Solving Real-World Problems: Focus on Health Sciences
Our initial focus is on health-related sciences, where computational methods are essential for overcoming current limitations. We directly address critical knowledge gaps in pharmaceutical development by accelerating the process of:
- Drug Target Identification
- Lead Compound Discovery
- Shortening the timeline for drug synthesis and bringing life-saving treatments to market faster.
We leverage our expertise to predict and explain chemical phenomena at a molecular level—doing what was once impossible in a traditional laboratory setting.
Our Unique Model: A Global Collaboratorium
CACMS operates as a quasi-virtual collaboratorium. This structure allows us to transcend the limitations of a physical lab by leveraging global talent and fostering collaborations without requiring massive, costly on-campus computing infrastructure. This modern, efficient model ensures that our advanced computational tools and expertise can be applied broadly and effectively across various scientific domains.
Our Team
The CACMS team is a highly interdisciplinary group of high-caliber faculty from the University of Colorado Denver’s Department of Chemistry. Led by our Director and Associate Director, our Principal Investigators and co-PIs bring specialized expertise across the Center's core pillars, including Quantum Dynamics, Multiscale Modeling, Electronic Structures, Chemical Informatics, CAMD, and AI-assisted Biomolecular Structures. This collaborative foundation is the engine of our innovation.
