MedeA® -HT

MedeA-HT-Launchpad accelerates high throughput calculations. MedeA-HT-Launchpad provides tools to create compendiums of systems and configurations (structure lists) from InfoMaticA databases and VASP trajectories, tools to build combinatorial libraries, tools to store structures and results of high throughput calculations, and utilities for sorting and duplicate removal. MedeA-HT-Descriptors and MedeA-HT-DataAnalysis extend the capabilities of MedeA-HT-Launchpad with the calculation of materials descriptors and derived properties respectively.



  • Provides support for high throughput calculations with foreach structure, structure list, and subsitutional building tools
  • Enhanced structure list creation and management
  • Flexible substitutional structure building capabilities


  • Joback/Reid group-based descriptors


Provides a range of physical properties including

  • Normal Boiling Point
  • Critical Temperature
  • Critical Pressure
  • Critical Volume
  • Melting Temperature
  • Heat of formation
  • Gibbs Energy of formation
  • Heat of Vaporization at Normal Boiling Point
  • Heat of Fusion
  • Liquid Dynamic Viscosity at Normal Boiling Point