Metropolis Monte Carlo L1-310

Computational ChemistryEquilibrium configurational samplingδ=3 · standardL_DAG = 3📋 Stub — not mineable

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Unclaimed Principle — open for contribution

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Forward model E

P (x \to x^{'}) = T (x \to x^{'}) \cdot min (1, e x p (- b e t a \cdot (U (x^{'}) - U (x))))

Metropolis: propose trial move -> accept with P = min(1, exp(-beta*dU)); generates Boltzmann-distributed configurations.

L-DAG

E.potential_U -> int.stochastic -> O.ensemble_average

E.potential_Uint.stochasticO.ensemble_average

Well-posedness W

Existence:: true
Uniqueness:: true
Stability:: conditional
κ:: 100

Well-posed; ergodicity + detailed balance ensure convergence.

Solvability C

Solver class:: LAMMPS-MC, Cassandra, Towhee; Gibbs-ensemble for phase equilibria
Convergence rate q:: 2
Complexity:: principle-dependent

Specs (0)

No L2 specs registered yet for this principle.