J-OCTA - Molecular Modeling and Simulation Software for Materials Design

SIESTA modeler

Giving an easy way to calculate stable structures, elastic moduli, reaction paths using SIESTA.

The latest feature
Machine Learning based QSPR

Learning the relationship between the molecular structures and the physical property values.

The latest feature
Conductivity
(charge transport)
Case study video

Example of electron transport (conduction) using TranSIESTA

The latest case study
General Introduction video

Uploaded a video about general introduction of J-OCTA on youtube!

The latest case study

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