abinitio

Here are 4 public repositories matching this topic...

Utilities for ab initio modeling suite CRYSTAL, developed in Turin University

A tool for automated in-silicio quantum multi objective optimization.

simulation quantum reactor multi-objective-optimization moo pareto abinitio in-silicio space-time-yield

Converts avro dml to abinitio specific dml

automation dml python3 avro-schema abinitio

Experimentally constrained wave function approach within the coupled cluster formalism

quantum-chemistry abinitio

Add a description, image, and links to the abinitio topic page so that developers can more easily learn about it.

To associate your repository with the abinitio topic, visit your repo's landing page and select "manage topics."