Data · dataset · 2026
PATHMC: Particle-based Approach To simulate cHemical dynamics using Monte Carlo
Listed in Teesside University Research Data Repository
We present PATHMC (Particle-based Approach To simulate cHemical dynamics using Monte Carlo), an open-source, cross-platform C++ software package for simulating the spatiotemporal track-structure evolution following radiolysis.
Description
PATHMC is designed to solve coupled chemical dynamics while accounting for explicit Coulomb interactions and dielectric saturation effects. Electrostatic forces enter the stochastic equations of motion, while a Coulomb-corrected missed-reaction probability accounts for reactive encounters at each step.
Diffusion-, partially diffusion-, and spin-controlled reactions are treated within the local force field.
Links
Where it is published
- DOI doi.org/10.17632/2h5pc5twwh.1 ↗
DOI / persistent id · from researchdata tees ac uk
Catalogue records · 1
- OAI-PMH record data.mendeley.com/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Adata… ↗
metadata API · from researchdata tees ac uk
Topics
- From keywords
- Earth & Environmental Science · Engineering · Humanities · Life Sciences · Physics · Social Science
- Inferred from text
- Atomic, molecular and optical physics 74%
Provenance · 1 source records, 12 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Teesside University Research Data Repository | oai:data.mendeley.com/2h5pc5twwh.1 | 8 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].anzsrc:group:5102 | enrichment · researchdata tees ac uk | taxonomy-embedding@1.0.0 | title+keywords+description (74%) |
| concepts[field].local:field:earth-environmental | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:engineering | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:humanities | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:physics | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:social-science | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| description | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/description |
| license | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/rights |
| publication_date | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| title | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/title |