Particle Based Methods in Materials Science

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Particle Based Methods in Materials Science

 23 - 27 Jul 2018
 ICMS, 15 South College Street Edinburgh

Scientific Organisers:

  • Ken Elder, Oakland University

  • Christoph Ortner, University of Warwick

  • Tim Schulze, University of Tennessee

This workshop brought 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. While these techniques are often suitable for studying the same physical problem, such as heterepitaxial growth, they tend to develop individual research communities that may not communicate extensively. There is a special challenge when trying to encourage interaction between researchers in different disciplines. One of the primary aims of this workshop was to overcome such barriers. To this end, speakers gave an accessible introduction to their approaches in addition to highlighting the cutting edge advances in their field. A specific goal of the meeting was that each participant left with knowledge of and an increased appreciation for work in these closely related specialties.


Abhijit, ChatterjeeIndian Institute of Technology Bombay
Gabor, CsanyiUniversity of Cambridge
Genevieve, DussonUniversity of Warwick
Ken, ElderOakland University
Jim, EvansIowa State University
Ben, GoddardUniversity of Edinburgh
Lazlo, GranasyWigner Research Centre for Physics
Thomas, HudsonUniversity of Warwick
Tim, SchulzeUniversity of Tennessee
Lei, ZhangShanghai Jiatong University