Directory of Experts
Details for Professor Neil Allan
| Personal details | |
| Name | Professor Neil Allan |
| Job title | Professor of Physical Chemistry |
| Department | School of Chemistry University of Bristol |
| Contact details | This expert can be contacted via the University of Bristol Public Relations
Office. To help us deal with your request, please mention the Directory of Experts when contacting the Public Relations Office. work+44 (0)117 331 8092 email: public-relations@bristol.ac.uk |
| Qualifications | M.A., D.Phil.(Oxon.), C.Chem. |
| Professional details | |
| Keywords | solids surfaces properties at the atomic level atomistic simulation quantum chemistry inorganic materials non-metallic solids |
| Areas of expertise | We use advanced simulation and modelling techniques to understand the properties of solids and surfaces at the atomic level. Historically most attention in chemistry has been paid to molecules, but it is now clear that ideas from atomistic simulation and ab initio quantum chemistry are capable of providing major insights into materials chemistry. Chemical ideas are proving highly valuable in many areas usually associated solely with condensed matter physics. Our primary interest is in inorganic materials and in particular non-metallic solids, e.g. metal oxides, halides, sulphides. We study many aspects of these fascinating systems which are still not understood after at least half a century of hard work. These include the lattice, defect, electronic, magnetic and surface properties. The theoretical methods include lattice statics and dynamics, Monte Carlo and molecular dynamics and ab initio techniques. |