# @kalika/molecular-dynamics

Atomistic simulation stack: classical & ab initio molecular dynamics,
interatomic potentials, enhanced sampling, free energy methods, trajectory
analysis, Green-Kubo transport, NEMD, structure prediction, and coarse-grained
methods for Kalika.

## At a glance

- **Path:** `libs/kalika/molecular-dynamics`
- **Domain:** kalika (active)
- **Owner:** @GreyChimp
- **Docs:** [deep-dive](/docs/domains/kalika/deep-dive) ·
  [systems one-pager](/docs/systems/lib-kalika.md)
- **Nx project:** `@kalika/molecular-dynamics`

## Commands

```bash
pnpm nx test @kalika/molecular-dynamics
pnpm nx lint @kalika/molecular-dynamics
```

<!-- Generated starting point (audit F-3): owners, replace this note with usage examples and API notes. -->