Center for Computational Chemistry
The Center will bridge gaps between New Mexico researchers in academia, industry, and national laboratories by serving as a hub for fostering collaborative interactions among UNM’s computational chemistry community, researchers in the US, and around the world.
Mission
The mission of the Center is to advance the University of New Mexico, the State of New Mexico, and the United States’ ability to understand molecular properties, molecular function, and their transformation using computational means; and to design novel molecules, catalysts, and materials using such knowledge.
C3 will maintain cutting edge expertise in computational approaches to chemistry, including the development of new methodologies and tools for advancing computational chemistry, establishing and maintaining shared hardware and software platforms for computational research in conjunction with the Center for Advanced Research Computing (CARC), providing grant administration, supporting excellence in graduate research, and the dissemination of new results.
Goals
The primary goals for the next three years are:
- To provide training opportunities for undergraduate and graduate students in the areas of computational chemistry and the related technologies of machine learning, high-performance computing, and quantum computing
- To seek external funding to support the research and education needs of the interdisciplinary computational chemistry community at UNM
- To foster synergistic collaborations among researchers at UNM to solve major computational problems in chemistry and related fields
Advisory Board
Yemane Asmerom, Department of Earth & Planetary Sciences
Patrick Bridges, Department of Computer Science and Center for Advanced Reserach Computing
Abhaya Datye, Chemical and Bilogoical Engineering
Ivan Deutsch, Physics and Astronomy
Jeremy Edwards, Chemistry and Biological Chemistry
