Abstract--Determinant Quantum Monte Carlo (DQMC) simulation has been widely used to reveal macroscopic properties of strong correlated materials. However, parallelization of the DQ...
—Reversible logic studies have promising potential on energy lossless circuit design, quantum computation, nanotechnology, etc. Reversible logic features a one-to-one input outpu...
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,...