What is ab initio?

Some articles on ab initio, ab:

Semi-empirical Quantum Chemistry Method
... results that best agree with experimental data, but sometimes to agree with ab initio results ... Semi-empirical calculations are much faster than their ab initio counterparts ... Indeed, for many years, the PPP method outperformed ab initio excited state calculations ...
List Of Software For Molecular Mechanics Modeling
... graphical user interface for the Vienna Ab-Initio Simulation Package (VASP) ... major computational programs like the Vienna Ab-Initio Simulation Package (VASP), LAMMPS, GIBBS with sophisticated materials property prediction, analysis ... structure prediction, homology modeling, ab initio modeling, loop modeling, protein threading Commercial Selvita Ltd SCIGRESS Y Y Y Y I Commercial SCIGRESS.com SimBioSys' MoDeST (Molecular Design Software Toolkit) Y ...
List Of Protein Structure Prediction Software - Homology Modeling
... Server Phyre and Phyre2 Remote template detection, alignment, 3D modeling, multi-templates, ab initio Webserver with job manager, automatically updated fold library, genome searching and other ...
Ab Initio Quantum Chemistry Methods - Methods in Detail - Hartree–Fock and Post-Hartree–Fock Methods
... The simplest type of ab initio electronic structure calculation is the Hartree–Fock (HF) scheme, in which the instantaneous Coulombic electron-electr ... Example Is Si2H2 like acetylene (C2H2)? A series of ab initio studies of Si2H2 is an example of how ab initio computational chemistry can predict new structures that are ...
Multitier Architecture - Three-tier Architecture
... The JIL would call a wrapper script on Ab Initio server which calls an Ab Initio graph ... Ab Initio is an excellent ETL tool which can extract data from multiple databases on multiple data servers and process it ...