Coarse-Grained Molecular Dynamics (MARTINI, Dry-MARTINI) L1-306

Computational ChemistryMulti-atom grouping force fieldsδ=3 · standardL_DAG = 3.1📋 Stub — not mineable

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Unclaimed Principle — open for contribution

This Principle is declared in the catalog but has no reference solver, no pinned dataset, and is not registered on-chain. There is no reward pool. Submitting a cert against this Principle today will record the cert for reproducibility but pay zero PWM.

To claim it as a Bounty #7 contribution: open a PR adding (1) a reference solver, (2) ≥1 dataset pinned to IPFS, (3) updates to the L3 manifest with dataset CIDs. After verifier-agent triple-review, the founders' 3-of-5 multisig signs PWMRegistry.register() and the Principle becomes mineable.

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Forward model E

m_{b} e a d \cdot d^{2} R / d t^{2} = - g r a d U_{C} G (R); U_{C} G = b o n d e d \sum + n o n - b o n d e d (m o d i f i e d L J) \sum

Coarse-graining: groups of atoms (~4 heavy atoms per bead) with effective potentials; speedup ~1000x over atomistic; enables microsecond-to-millisecond simulations.

L-DAG

E.bead_mapping -> E.CG_forcefield -> D.time.symplectic -> O.mesoscale_observable

E.bead_mappingE.CG_forcefieldD.time.symplecticO.mesoscale_observable

Well-posedness W

Existence:: true
Uniqueness:: true
Stability:: conditional
κ:: 150

Well-posed forward; transferability limited to similar chemistries.

Solvability C

Solver class:: GROMACS-MARTINI, LAMMPS-MSCG; Iterative Boltzmann Inversion (IBI) for parameterization
Convergence rate q:: 2
Complexity:: principle-dependent

Specs (0)

No L2 specs registered yet for this principle.