Abstract
NWChem is a computational chemistry code designed for efficient execution on massively parallel computers. Through effective use of the aggregate resources of such computers, NWChem enables much larger and more accurate production simulations than previously feasible. In this paper we briefly describe the NWChem architecture and highlight some of the new capabilities in NWChem. © Springer-Verlag Berlin Heidelberg 2003.
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CITATION STYLE
Windus, T. L., Bylaska, E. J., Dupuis, M., Hirata, S., Pollack, L., Smith, D. M., … Aprà, E. (2003). NWChem: New functionality. Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 2660, 168–177. https://doi.org/10.1007/3-540-44864-0_18
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