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.

Publications

10 25 50

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