CSSI: Frameworks: Interoperable High-Performance Classical, Machine Learning and Quantum Free Energy Methods in AMBERPI: Kenneth M. Merz, Jr., Co-PIs: Metin Aktulga, Andreas W. Götz, Darrin M. YorkInstitutions: Michigan State University, University of California San Diego, Rutgers University
Develop and deploy accurate, efficient, and user-friendly free energy (FE) software tools within a powerful new multiscale modeling framework in the AMBER suite of programs.
