204 citations · 500 across the 6 of their papers we have counts for
8 papers · 1 filter
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…