Synthesis of High-Performance Parallel Programs for a Class of ab Initio Quantum Chemistry Models

Gerald Baumgartner, Alexander A. Auer, David E. Bernholdt, Alina Bibireata, Venkatesh Choppella, Daniel Cociorva, Xiaoyang Gao, Robert J. Harrison, So Hirata, Sriram Krishnamoorthy, Sandhya Krishnan, Chi-Chung Lam, Qingda Lu, Marcel Nooijen, Russell M. Pitzer, J. Ramanujam, P. Sadayappan, Alexander Sibiryakov. Synthesis of High-Performance Parallel Programs for a Class of ab Initio Quantum Chemistry Models. Proceedings of the IEEE, 93(2):276-292, 2005. [doi]

Abstract

Abstract is missing.