699 citations · 705 across the 3 of their papers we have counts for
4 papers
NWChem: Past, Present, and Future
E. Aprà, E. J. Bylaska, W. A. de Jong +111
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…
Cluster, Classify, Regress: A General Method For Learning Discountinous Functions
David E. Bernholdt, Mark R. Cianciosa, Clement Etienam +3
This paper presents a method for solving the supervised learning problem in which the output is highly nonlinear and discontinuous. It is proposed to solve this problem in three st…
Community Organizations: Changing the Culture in Which Research Software Is Developed and Sustained
Daniel S. Katz, Lois Curfman McInnes, David E. Bernholdt +10
Software is the key crosscutting technology that enables advances in mathematics, computer science, and domain-specific science and engineering to achieve robust simulations and an…
The Earth System Grid: Supporting the Next Generation of Climate Modeling Research
David Bernholdt, Shishir Bharathi, David Brown +17
Understanding the earth's climate system and how it might be changing is a preeminent scientific challenge. Global climate models are used to simulate past, present, and future cli…