Utilizing high performance computing for chemistry: parallel computational chemistry

• DOI: 10.1039/c002859b
• Publication Date: 2010-06-08T10:00:23Z
• Authors: Wibe A. de Jong; Eric Bylaska; Niranjan Govind; Curtis L. Janssen; Karol Kowalski; Thomas Müller; Ida M. B. Nielsen; Hubertus J. J. va...; Valera Veryazov; Roland Lindh
• Keywords: Quantum Chemistry

Parallel hardware has become readily available to the computational chemistry research community. This perspective will review current state of parallel software utilizing high-performance computing platforms. Hardware and trends their effect on quantum methodologies, algorithms, development also be discussed.