Computational and Theoretical Chemistry Institute
Computational and Theoretical Chemistry Institute
PNNL's expertise in computational and theoretical chemistry, including quantum computing, will advance the development of the next generation of molecular modeling capabilities.
(Nathan Johnson | Pacific Northwest National Laboratory)
An International Center for Software at Extreme Scales
The Computational and Theoretical Chemistry Institute (CTCI) at Pacific Northwest National Laboratory (PNNL) is a premier international center for scalable computational chemistry software and methods development. The CTCI capitalizes on the critical mass of exceptional computational and theoretical chemists, computer scientists, and data scientists at PNNL and expands our collaborations into new data-centric approaches.
The CTCI is working toward the development of the next generation of molecular modeling capabilities by expediting the integration of chemistry software development, inclusive of quantum computing, with computer science efforts, novel data sets, and data science tools including artificial intelligence, machine learning, and machine reasoning.