kimiya 1.0.0

Kimiya — chemistry engine for elements, molecules, reactions, kinetics, and thermochemistry
Documentation
# Benchmarks

Three-point tracking: **baseline** (pre-migration) / **previous** (post-migration) / **latest** (post-audit)

| Point | Date | Commit |
|-------|------|--------|
| Baseline | 2026-03-25 | `228c55e` |
| Previous | 2026-03-25 | (hisab deepening) |
| Latest | 2026-03-25 | (post-audit) |

## element

| Benchmark | Baseline | Previous | Latest |
|-----------|----------|----------|--------|
| `lookup_by_symbol` | 52.37 ns | 48.24 ns | 48.52 ns |
| `lookup_by_number` | 938.14 ps | 850.05 ps | 855.77 ps |

## molecule

| Benchmark | Baseline | Previous | Latest |
|-----------|----------|----------|--------|
| `molecular_weight_glucose` | 4.87 ns | 4.32 ns | 4.31 ns |

## gas

| Benchmark | Baseline | Previous | Latest |
|-----------|----------|----------|--------|
| `ideal_gas_pressure` | 1.45 ns | 1.81 ns | 1.79 ns |

## reaction

| Benchmark | Baseline | Previous | Latest |
|-----------|----------|----------|--------|
| `gibbs_free_energy` | 1.16 ns | 1.04 ns | 1.07 ns |

## kinetics

| Benchmark | Baseline | Previous | Latest |
|-----------|----------|----------|--------|
| `arrhenius_rate` | 6.19 ns | 5.86 ns | 5.86 ns |
| `michaelis_menten` | 3.38 ns | 3.08 ns | 3.13 ns |
| `eyring_rate` | 7.19 ns | 5.91 ns | 6.16 ns |

## solution

| Benchmark | Baseline | Previous | Latest |
|-----------|----------|----------|--------|
| `ph_from_h` | 8.36 ns | 7.76 ns | 7.90 ns |
| `weak_acid_ph` | 166.23 ns | **20.04 ns** | **20.73 ns** |

## thermo

| Benchmark | Baseline | Previous | Latest |
|-----------|----------|----------|--------|
| `heat_transfer` | 1.13 ns | 1.06 ns | 1.05 ns |

## electrochemistry

| Benchmark | Baseline | Previous | Latest |
|-----------|----------|----------|--------|
| `nernst_potential` | 6.46 ns | 5.91 ns | 6.00 ns |
| `lookup_half_reaction` | 36.48 ns | 24.29 ns | 24.61 ns |

## thermochem

| Benchmark | Baseline | Previous | Latest |
|-----------|----------|----------|--------|
| `reaction_enthalpy_ch4` | 51.29 ns | 41.94 ns | 42.92 ns |
| `vant_hoff_k` | 10.74 ns | 9.00 ns | 9.28 ns |
| `enthalpy_change_cp` | 316.76 ns | 289.48 ns | 294.47 ns |
| `shomate_cp` | 3.11 ns | 2.61 ns | 2.63 ns |

## spectroscopy

| Benchmark | Baseline | Previous | Latest |
|-----------|----------|----------|--------|
| `bohr_energy_level` | 2.00 ns | 1.34 ns | 1.37 ns |
| `absorbance` | 1.54 ns | 1.04 ns | 1.05 ns |

## reaction_dynamics (new)

| Benchmark | Baseline | Previous | Latest |
|-----------|----------|----------|--------|
| `first_order_100steps` || 4.64 µs | 4.80 µs |
| `consecutive_100steps` || 5.39 µs | 5.53 µs |

## fitting (new)

| Benchmark | Baseline | Previous | Latest |
|-----------|----------|----------|--------|
| `arrhenius_6pts` || 244.64 ns | 302.03 ns |
| `polynomial_deg2_20pts` || 518.55 ns | 528.50 ns |

---

Generated by `cargo bench`. Full history in `bench-history.csv`.