Key Points 1. Introduction to our CyberInfrastructure. Setups and key links. 2. Revision of Python, Git and GitHub. 3. Libra 4. OpenMolcas 5. Spin-Restricted Ensemble-Referenced Kohn-Sham (REKS) Method: Practical Implementation of Ensemble DFT Methodology 5. ORCA 6. SHARC 7. COBRAMM 8. DynEMol 9. pyUNIxMD 10. CT-MQC 11. BerkeleyGW and Paratec 12. paratec 13. Hefei-NAMD 14. Redfield 15. Students' projects presentations Glossary FIXME