14:00-15:00 Highlight seminar
15:00-15:30 Refreshments, discussion and networking
You can watch the live stream of the seminar here.
Abstract
One of the buzz phrases currently in fashion is ‘From the atom to the material’. It was one of the major drivers of the Materials Genome Initiative which has, amongst its objectives, the aim of reducing the time to market for materials from the current value of 20 years or more through increased use of modelling, simulation and data. It is also one of the objectives of the European Materials Modelling Council and there are many calls from industry for such capability. Whilst academic modellers may claim that the work they already do fulfils this objective it is not clear that any materials discovered using modelling alone have reached market. However, there is already significant academic and industrial capability in modelling and simulation at the atomistic scale and above and so, presumably, there is some benefit from bringing modelling into the materials development process.
In this talk, I shall provide a brief overview of the capabilities, strengths and weaknesses of existing atomistic modelling methods. I will then discuss some of the challenges in virtual materials design and outline some emerging solutions. Finally, I will discuss some successful modelling assisted materials development projects and identify some key common components in the success of these projects.
Biography
Professor M.C. Payne holds the Chair of Computational Physics in the University of Cambridge. He has worked on quantum mechanical total energy calculations since 1985, is the author of the first principles total energy pseudopotential code CASTEP and has been involved in the development of the linear scaling code ONETEP and the LOTF (Learn-On-The-Fly) hybrid modelling scheme. He has published more than 280 papers which have had over 30,000 citations. He was elected a Fellow of the Royal Society in 2008, Honorary Fellow of the Institute of Physics in 2011 and awarded the 2014 Swan Medal by the Institute of Physics. CASTEP and ONETEP are both sold commercially by Biovia and CASTEP has cumulative sales exceeding $40 million.
About IMSE
The Institute for Molecular Science and Engineering (IMSE) is one of Imperial College London’s Global Institutes, drawing on the strength of its four faculties to address some of the grand challenges facing the world today. The Institute’s activities are focused on tackling problems where molecular innovation plays an important role.
The Highlight Seminar Series brings eminent speakers from across the globe to Imperial to increase awareness of areas where molecular science and engineering can make a valuable contribution and to promote exchanges with academic and industrial centres of excellence.