Complex molecules at interfaces - insights from simulation

The behaviour of complex molecules, such as nanoparticles, polymers, and proteins at liquid interfaces is of increasing importance in a number of areas of science and technology. It has long been recognised that solid particles adhere to liquid interfaces, which provides a convenient method for the preparation of nanoparticle structures or to modify interfacial properties. The adhesion of proteins at liquid interfaces is important in many biological processes and in a number of materials applications of biomolecules. As the reduced dimensions of these particles makes experimental investigation challenging, molecular simulations provide a natural means for the study of these systems. In this talk I will describe some of my recent research on the study nanoparticles [1,2], proteins [3], and polymers [4] at liquid interfaces using molecular simulation. In particular I will discuss the role of microscopic effects such as capillary waves in the effective interaction between a nanoparticle and a fluid interface, how the stablity of nanoparticles and proteins at liquid interfaces depends on their surface structure and conformation and stability of functionalised dendrimers at liquid interfaces.

[1] DL Cheung and SAF Bon, Phys. Rev. Lett., 102, 066103 (2009) [1] DL Cheung and SAF Bon, Soft Matter, 5, 3969 (2009) [3] DL Cheung, Langmuir, 28, 8730 (2012) [4] DL Cheung and P Carbone, Soft Matter, in press