Tools Click here to view this collection in the new DAP user interface

show summary fields  |   show all    

About this Collection


The energies obtained using first principles methods only accounts for the ground state (temperature T ~ 0 K, pressure P = 0 Pa) electronic energies, E, which are a part of the thermodynamic internal energies or free energies. QuickThermo is a software package that can be used to extend the ground state energy to finite temperatures and pressures. ... more

Artificial Intelligence and Image Processing not elsewhere classified Chemical Thermodynamics and Energetics Condensed Matter Modelling and Density Functional Theory Nanomaterials Pattern Recognition and Data Mining Theoretical and Computational Chemistry not elsewhere classified Theory and Design of Materials Thermodynamics and Statistical Physics

Benyamin Motevalli Soumehsaraei

Thermodynamics Chemistry Materials Physics Temperature Pressure

Benyamin Motevalli, Amanda Barnard

CSIRO Binary Software Licence

CSIRO (Australia)

Motevalli Soumehsaraei, Benyamin; Barnard, Amanda (2019): QuickThermo. v1. CSIRO. Software Collection.

All Rights (including copyright) CSIRO 2019.

The metadata and files (if any) are available to the public.

show all

About this Project

AI for Advanced Materials - Graphene Machine

Software development for ab initio thermodynamic calculations

Amanda Barnard

Applied Machine Learning Software Platform

Software produced by DATA61 Applied Machine Learning Team


Benyamin Motevalli Soumehsaraei

Amanda Barnard

Related collections

  • Archetypal Analysis Package....