Particle-based methods in materials science

ICMS, 15 South College Street, Edinburgh, EH8 9AA

23-28 July 2018


  • Ken Elder, Oakland University
  • Christop Ortner, University of Warwick
  • Tim Schulze, University of Tennessee

Mathematics and computation have long played a central role in materials science, with efforts increasingly focused on the nanoscale. This workshop will bring together experts focusing on coarse-grained, particle-based methods for simulating the growth and evolution of materials that incorporate atomistic length scales. In recent years there has been extensive development in a diverse collection of such methods, including accelerated molecular dynamics, classical density functional theory, phase field crystal, kinetic Monte Carlo and quasicontinuum methods. Each of these methods attempts to incorporate the discrete nature of crystalline lattices and the defects and dislocations inherent in such systems on length and time scales much larger than atomic vibration times and length scales. These efforts are interdisciplinary, with individuals from mathematics, physics, chemistry and engineering working in these areas. There is a special challenge when trying to encourage interaction between researchers in different disciplines. One of the primary aims of this workshop is to overcome such barriers. To this end, speakers will give an accessible introduction to their approaches in addition to highlighting the cutting edge advances in their field. A specific goal of the meeting is that each participant will come away with knowledge of and an increased appreciation for work in these closely related specialties.

This workshop has been co-funded by the  ERC Starting Grant 335120 Multiscale Modelling of Crystalline Defects.



Invitations will be sent out by ICMS in March 2018. 


The workshop will be held at ICMS, 15 South College Street, Edinburgh. 


All talks will be held in the Newhaven Lecture Theatre.  The lecture theatre has a built in computer, data projector, and visualiser/document camera.  In addition, there are two blackboards.  The projector and one board may be used simultaneously.  We advise Speakers that, where possible, you bring your talk on a memory stick/USB to put onto our computer in advance of your session - either at the start of the day or during coffee/lunch breaks.   ICMS staff can help with this.   It is possible for you to use your own laptops but it is then your own responsibility to ensure that resolutions are changed on the laptops if necessary (ICMS will not change the resolution on our equipment).   If you use a Mac we expect you to bring your own adaptor. 


If you are travelling from outside of the UK you may require an entry visa. A European visa does not guarantee entry to the UK. Please use this link to the UK Visas site to find out if you need a visa and if so how to apply for one.


Please note that it is your responsibility to have adequate travel insurance to cover medical and other emergencies that may occur on your trip.

A taxi directly from the airport will cost approximately 20.00 to 25.00 GBP to the city centre for a one-way journey.    

There is also a bus service direct from the airport to the city centre which will cost 4.50 GBP single or 7.50 GBP return - the Airlink 100.  This is a frequent service (every 10 minutes during peak times) and will bring you close to Waverley Railway Station, only a short walk to the workshop venue.

Lothian buses charge £1.70 for a single, £4.00 for a day ticket. Please note that the exact fare is required and no change is given.

If travelling by train, please note that Edinburgh has several railway stations - Waverley Railway Station being the main station and closest to the workshop venue at 15 South College Street.  If you alight at Edinburgh Waverley, the workshop venue is an easy 10 minute walk over North and South Bridge.


To be announced