Popular repositories Loading

1. Scattering Scattering Public

   Calculating H-Kr quantum scattering cross section with Java

   Java

2. HydrogenAtom HydrogenAtom Public

   Variational calculation for the hydrogen atom

   Java

3. beyondLDA2 beyondLDA2 Public

   A Python module for conducting DFT and G0W0 computations on spin-crossover molecules and solids using GPAW and ASE

   Python

4. ruby_siesta ruby_siesta Public

   A Ruby script to call Siesta for simulations of molecules and solids

   Ruby

5. siesta_pseudo siesta_pseudo Public

   NCPPs used by siesta

6. device_setup device_setup Public

   This module provides a simple and efficient way to create a molecular junction model for projects involving molecular electronics.

   Python