We address the problem of data parallel processing for computational quantum chemistry (CQC). CQC is a computationally demanding tool to study the electronic structure of molecule...
Tirath Ramdas, Gregory K. Egan, David Abramson, Ki...
We present an algorithm for the c-approximate nearest neighbor problem in a d-dimensional Euclidean space, achieving query time of O(dn1/c2 +o(1) ) and space O(dn + n1+1/c2 +o(1) ...
The accurate modeling of the electronic structure of atoms and molecules involves computationally intensive tensor contractions involving large multi-dimensional arrays. The effi...
Daniel Cociorva, Xiaoyang Gao, Sandhya Krishnan, G...
An edge-labeling λ for a directed graph G has a weak sense of direction (WSD) if there is a function f that satisfies the condition that for any node u and for any two label seq...
Irreversible computation necessarily results in energy dissipation due to information loss. While small in comparison to the power consumption of today’s VLSI circuits, if curre...