Application of Molecular Modelling and Virtual Reality (VR) Technologies to Understand Promotional Effects in Zeolite Catalysts
Lead Research Organisation:
University of Bristol
Department Name: Chemistry
Abstract
The PhD project, entitled "New Force Fields Development to Improve the Adsorbants Conformational Searches in Zeolites", will build on the extensive expertise previously demonstrated by the Allan research group to develop detailed force fields (FF) that will allow molecular modelling and Molecular Dynamics (MD) and Monte Carlo (MC) simulation techniques to explore accurately a large range of prospective geometries and structures for zeolite catalysts.
People |
ORCID iD |
| Neil Allan (Primary Supervisor) | |
| Josh Dunn (Student) |
Studentship Projects
| Project Reference | Relationship | Related To | Start | End | Student Name |
|---|---|---|---|---|---|
| EP/T51763X/1 | 30/09/2019 | 07/11/2025 | |||
| 2448569 | Studentship | EP/T51763X/1 | 30/09/2020 | 29/09/2024 | Josh Dunn |