Accelerated chemical space search using a quantum-inspired cluster expansion approach
Authors:
- Hitarth ChoubisaHCHitarth Choubisa
- Jehad AbedJAJehad Abed
- Douglas MendozaDMDouglas Mendoza
- Hidetoshi MatsumuraHMHidetoshi Matsumura
- Masahiko SugimuraMSMasahiko Sugimura
- Zhenpeng YaoZYZhenpeng Yao
- Ziyun WangZWZiyun Wang
- Brandon R. SutherlandBSBrandon R. Sutherland
- Alán Aspuru-GuzikAAAlán Aspuru-Guzik
- Edward H. SargentESEdward H. Sargent
Abstract
No abstract availableAll Related Versions
Funding Information
- Natural Sciences and Engineering Research Council of Canada
- Fujitsu
This publication has 51 references indexed in Scilit:
- Bayesian approach to cluster expansionsPhysical Review B, 2009
- Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated ToolkitCalphad, 2009
- Using genetic algorithms to map first-principles results to model Hamiltonians: Application to the generalized Ising model for alloysPhysical Review B, 2005
- Mixed-basis cluster expansion for thermodynamics of bcc alloysPhysical Review B, 2004
- The alloy theoretic automated toolkit: A user guideCalphad, 2002
- Cu-Au, Ag-Au, Cu-Ag, and Ni-Au intermetallics: First-principles study of temperature-composition phase diagrams and structuresPhysical Review B, 1998
- Generalized Gradient Approximation Made SimplePhysical Review Letters, 1996
- Why gold is the noblest of all the metalsNature, 1995
- Chemical bonding in rutile-type compoundsInorganic Chemistry, 1992
- F. Ducastelle. Order and Phase Stability in Alloys. (Cohesion and Structure Vol. 3). North-Holland/Elsevier Science Publishers, Amsterdam 1991. 511 p. US $ 151./Dfl. 295.00. ISBN 0–444–86973–5. The book is available either from the Amsterdam address or from Elsevier Sc. Publ. New YorkCrystal Research and Technology, 1992