This paper presents a technique for memory optimization for a class of computations that arises in the field of correlated electronic structure methods such as coupled cluster and...
A. Allam, J. Ramanujam, Gerald Baumgartner, P. Sad...
ions Sriram Krishnamoorthy½ Umit Catalyurek¾ Jarek Nieplocha¿ Atanas Rountev½ P. Sadayappan½ ½ Dept. of Computer Science and Engineering, ¾ Dept. of Biomedical Informatics T...
We present wannier90, a program for calculating maximally-localised Wannier functions (MLWF) from a set of Bloch energy bands that may or may not be attached to or mixed with othe...
Arash A. Mostofi, Jonathan R. Yates, Young-Su Lee,...
Rapid increases in computing and communication performance are exacerbating the long-standing problem of performance-limited input/output. Indeed, for many otherwise scalable para...
Phyllis Crandall, Ruth A. Aydt, Andrew A. Chien, D...
Simulating the in-water ocean light field is a daunting task. Ocean waters are one of the richest participating media, where light interacts not only with water molecules, but wit...