CONQUEST, the Glossary
CONQUEST is a linear scaling, or O(N), density functional theory (DFT) electronic structure open-source code.[1]
Table of Contents
13 relations: Ab initio quantum chemistry methods, Atom, Density functional theory, Germanium, HECToR, Linear function, List of quantum chemistry and solid-state physics software, London Centre for Nanotechnology, National Institute for Materials Science, Plane wave, Silicon, Thomas Young Centre, University College London.
- Density functional theory software
Ab initio quantum chemistry methods
Ab initio quantum chemistry methods are computational chemistry methods based on quantum chemistry.
See CONQUEST and Ab initio quantum chemistry methods
Atom
Atoms are the basic particles of the chemical elements.
Density functional theory
Density functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases.
See CONQUEST and Density functional theory
Germanium
Germanium is a chemical element; it has symbol Ge and atomic number 32.
HECToR
HECToR (High End Computing Terascale Resource) was a British academic national supercomputer service funded by EPSRC, Natural Environment Research Council (NERC) and BBSRC for the UK academic community. The HECToR service was run by partners including EPCC, Science and Technology Facilities Council (STFC) and Numerical Algorithms Group (NAG).
Linear function
In mathematics, the term linear function refers to two distinct but related notions.
See CONQUEST and Linear function
List of quantum chemistry and solid-state physics software
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. CONQUEST and List of quantum chemistry and solid-state physics software are computational chemistry software, Density functional theory software and physics software.
See CONQUEST and List of quantum chemistry and solid-state physics software
London Centre for Nanotechnology
The London Centre for Nanotechnology is a multidisciplinary research centre in physical and biomedical nanotechnology in London, United Kingdom.
See CONQUEST and London Centre for Nanotechnology
National Institute for Materials Science
is an Independent Administrative Institution and one of the largest scientific research centers in Japan.
See CONQUEST and National Institute for Materials Science
Plane wave
In physics, a plane wave is a special case of a wave or field: a physical quantity whose value, at any moment, is constant through any plane that is perpendicular to a fixed direction in space.
Silicon
Silicon is a chemical element; it has symbol Si and atomic number 14.
Thomas Young Centre
The Thomas Young Centre (TYC) is an alliance of London research groups working on the theory and simulation of materials (TSM).
See CONQUEST and Thomas Young Centre
University College London
University College London (branded as UCL) is a public research university in London, England.
See CONQUEST and University College London
See also
Density functional theory software
- ABINIT
- Amsterdam Density Functional
- Atomistix ToolKit
- Atomistix Virtual NanoLab
- BigDFT
- CASTEP
- CONQUEST
- CP2K
- Car–Parrinello molecular dynamics
- DMol3
- DP code
- FHI-aims
- FLEUR
- List of quantum chemistry and solid-state physics software
- Machine-learned interatomic potential
- ONETEP
- PARSEC
- Quantum ESPRESSO
- SIESTA (computer program)
- Vienna Ab initio Simulation Package
- WIEN2k