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examples/lennard_jones_optimization.py

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to optimize crystal structure. It finds the equilibrium lattice constant that minimizes
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the total Lennard-Jones potential energy of a 2D square lattice.
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This example showcases a key capability of the differentiable lattice system:
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making geometric parameters (like lattice constants) fully differentiable and
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This example showcases a key capability of the differentiable lattice system:
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making geometric parameters (like lattice constants) fully differentiable and
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optimizable using automatic differentiation. This enables variational material design
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where crystal structures can be optimized to minimize physical energy functions.
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"""

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