Examples

• Microcanonical Ensemble (NVE)
• Canonical Ensemble (NVT) - Nose-Hoover
• Isothermal-Isobaric Ensemble (NPT) - Nose-Hoover
• Microcanonical Ensemble (NVE) with Neighbor Lists
• Neural Network Potentials
• Equivariant Neural Network Potentials
• Harmonic Minimization
• ReaxFF NVE Simulation
• Multi-Image Neighbor Lists for Small Periodic Boxes
• Symmetric Molecular Dynamics (SyMD)
• OPLSAA Torsion Scan
• UMA (Universal Models for Atoms) — JAX-MD