315 citations · 2.2k across the 30 of their papers we have counts for
19 papers · 1 filter
Control of superselectivity by crowding in three-dimensional hosts
Andrew T. R. Christy, Halim Kusumaatmaja, Mark A. Miller
Motivated by the fine compositional control observed in membraneless droplet organelles in cells, we investigate how a sharp binding-unbinding transition can occur between multival…
Phase transitions on non-uniformly curved surfaces: Coupling between phase and location
Jack O. Law, Jacob M. Dean, Mark A. Miller +1
For particles confined to two dimensions, any curvature of the surface affects the structural, kinetic and thermodynamic properties of the system. If the curvature is non-uniform,…
Controlling Fragment Competition on Pathways to Addressable Self-Assembly
Jim Madge, David Bourne, Mark A. Miller
Addressable self-assembly is the formation of a target structure from a set of unique molecular or colloidal building-blocks, each of which occupies a defined location in the targe…
Continuum Percolation of Polydisperse Rods in Quadrupole Fields: Theory and Simulations
Shari P. Finner, Mihail I. Kotsev, Mark A. Miller +1
We investigate percolation in mixtures of nanorods in the presence of external fields that align or disalign the particles with the field axis. Such conditions are found in the for…
Design Strategies for Self-Assembly of Discrete Targets
Jim Madge, Mark A. Miller
Both biological and artificial self-assembly processes can take place by a range of different schemes, from the successive addition of identical building blocks, to hierarchical se…
Percolation in suspensions of hard nanoparticles: From spheres to needles
Tanja Schilling, Mark Miller, Paul van der Schoot
We investigate geometric percolation and scaling relations in suspensions of nanorods, covering the entire range of aspect ratios from spheres to extremely slender needles. A new v…
Depletion interaction effects on the tunneling conductivity of nanorod suspensions
B. Nigro, C. Grimaldi, M. A. Miller +2
We study by simulation and theory how the addition of insulating spherical particles affects the conductivity of fluids of conducting rods, modeled by spherocylinders. The electric…
Energy landscapes, structural topologies and rearrangement mechanisms in clusters of dipolar particles
James D. Farrell, Christabel Lines, James J. Shepherd +3
Clusters of spherical particles with isotropic attraction favour compact structures that maximise the number of energetically optimal nearest-neighbour interactions. In contrast, d…
Structure and stability of charged clusters
Mark A. Miller, David A. Bonhommeau, Christopher J. Heard +3
When a cluster or nanodroplet bears charge, its structure and thermodynamics are altered and, if the charge exceeds a certain limit, the system becomes unstable with respect to fra…
Controlling the folding and substrate-binding of proteins using polymer brushes
Brenda M. Rubenstein, Ivan Coluzza, Mark A. Miller
The extent of coupling between the folding of a protein and its binding to a substrate varies from protein to protein. Some proteins have highly structured native states in solutio…
Density functional theory for Baxter's sticky hard spheres in confinement
Hendrik Hansen-Goos, Mark A. Miller, J. S. Wettlaufer
It has recently been shown that a free energy for Baxter's sticky hard sphere fluid is uniquely defined within the framework of fundamental measure theory (FMT) for the inhomogeneo…
Structural trends in clusters of quadrupolar spheres
Mark A. Miller, James J. Shepherd, David J. Wales
The influence of quadrupolar interactions on the structure of small clusters is investigated by adding a point quadrupole of variable strength to the Lennard-Jones potential. Compe…
The vanishing limit of the square-well fluid: the adhesive hard sphere model as a reference system
J. Largo, M. A. Miller, F. Sciortino
We report a simulation study of the gas-liquid critical point for the square-well potential, for values of well width delta as small as 0.005 times the particle diameter sigma. For…
Importance of Metastable States in the Free Energy Landscapes of Polypeptide Chains
Stefan Auer, Mark A. Miller, Sergei V. Krivov +3
We show that the interplay between excluded volume effects, hydrophobicity, and hydrogen bonding of a tube-like representation of a polypeptide chain gives rise to free energy land…
Depletion-induced percolation in networks of nanorods
T. Schilling, S. Jungblut, Mark A. Miller
Above a certain density threshold, suspensions of rod-like colloidal particles form system-spanning networks. Using Monte Carlo simulations, we investigate how the depletion forces…
Reversible self-assembly of patchy particles into monodisperse icosahedral clusters
Alex W. Wilber, Jonathan P. K. Doye, Ard A. Louis +3
We systematically study the design of simple patchy sphere models that reversibly self-assemble into monodisperse icosahedral clusters. We find that the optimal patch width is a co…
Novel Structural Motifs in Clusters of Dipolar Spheres: Knots, Links and Coils
Mark A. Miller, David J. Wales
We present the structures of putative global potential energy minima for clusters bound by the Stockmayer (Lennard-Jones plus point dipole) potential. A rich variety of structures…
Modelling colloids with Baxter's adhesive hard sphere model
Mark A. Miller, Daan Frenkel
The structure of the Baxter adhesive hard sphere fluid is examined using computer simulation. The radial distribution function (which exhibits unusual discontinuities due to the pa…
Phase diagram of the adhesive hard sphere fluid
M. A. Miller, D. Frenkel
The phase behavior of the Baxter adhesive hard sphere fluid has been determined using specialized Monte Carlo simulations. We give a detailed account of the techniques used and pre…