7.7k citations
- The University of Texas at DallasUS9 papers
- Rutgers, The State University of New JerseyUS8 papers
- Universitat de ValènciaES6 papers
- Centre National de la Recherche ScientifiqueFR4 papers
- University of BolognaIT4 papers
- University of OxfordGB4 papers
- University of WashingtonUS4 papers
- Winston-Salem/Forsyth County SchoolsUS4 papers
- Goethe University FrankfurtDE3 papers
- Michigan State UniversityUS3 papers
- North Carolina State UniversityUS3 papers
- Oak Ridge National LaboratoryUS3 papers
5 papers · 1 filter
Advanced capabilities for materials modelling with Quantum ESPRESSO
P. Giannozzi, O. Andreussi, T. Brumme +47
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-…
Communication Lower Bounds for Matricized Tensor Times Khatri-Rao Product
Grey Ballard, Nicholas Knight, Kathryn Rouse
The matricized-tensor times Khatri-Rao product computation is the typical bottleneck in algorithms for computing a CP decomposition of a tensor. In order to develop high performanc…
H4-Alkanes: A new class of hydrogen storage material?
D. Harrison, E. Welchman, T. Thonhauser
The methane-based material (H)CH, also called H4M for short, is in essence a methane molecule with 4 physisorbed H molecules. While H4M has exceptionally high hydro…
Eigencurves for linear elliptic equations
M. A. Rivas, Stephen B. Robinson
This paper provides results for eigencurves associated with self-adjoint linear elliptic boundary value problems. The elliptic problems are treated as a general two-parameter eigen…
Enhanced chiral discriminatory van der Waals interactions mediated by chiral surfaces
Pablo Barcellona, Hassan Safari, A. Salam +1
We predict a discriminatory interaction between a chiral molecule and an achiral molecule which is mediated by a chiral body. To achieve this, we generalize the van der Waals inter…