Glossary

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
Ab Initio Multiple Spawning: Electronic Structure and Nonadiabatic Dynamics	Conical intersections are the funnels of nonadiabatic dynamics; describing them needs multireference methods. AIMS represents the nuclear wavepacket with traveling Gaussians that spawn near strong coupling. OpenMolcas supplies the on-the-fly electronic structure; PySpawn drives the spawning dynamics.
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

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