Atomistic Simulation TutorialΒΆ
1. Introduction
2. Structural optimization
3. Energy
4. Vibration, phonon
5. Reaction path analysis
6. Molecular dynamics
7. Conclusion
Atomistic simulation hands on tutorial on Matlantis
1. Introduction
2. Structural optimization
3. Energy
4. Vibration, phonon
5. Reaction path analysis
6. Molecular dynamics
7. Conclusion