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Displaying 26 - 32 of 32

Void-based Assembly of Colloidal Crystals

June 1, 2017
Author(s)
Nathan Mahynski, Lorenzo Rovigatti, Christos Likos, Athanassios Panagiotopoulos
We have used computer simulations to reveal how colloidal crystals may be assembled by engineering the shape and charge of polymeric additives, which act as structure-directing agents (SDAs). Using these agents, only a single desired polymorph may be

Predicting low-temperature free energy landscapes with flat-histogram Monte Carlo methods

February 21, 2017
Author(s)
Nathan Mahynski, Marco A. Blanco Medina, Jeffrey R. Errington, Vincent K. Shen
We present a method of predicting the free energy landscape of fluids at low temperatures from flat-histogram grand canonical Monte Carlo simulations performed at higher ones. We illustrate our approach for both pure and multicomponent systems using two

Tuning flexibility to control selectivity in soft porous crystals

January 31, 2017
Author(s)
Nathan Mahynski, Vincent K. Shen
We use flat-histogram Monte Carlo simulations to study how changing the flexibility of soft porous crystals (SPCs) affects their selective adsorption of a binary, size-asymmetric supercritical fluid. Specifically, we consider mesoporous SPCs which have

Bottom-Up Colloidal Crystal Assembly with a Twist

April 28, 2016
Author(s)
Nathan Mahynski, Lorenzo Rovigatti, Christos Likos, Athanassios Panagiotopoulos
Globally ordered colloidal crystal lattices have broad utility in a wide range of optical and catalytic devices, for example, as photonic bandgap materials. However, the self-assembly of stereospecific structures is often confounded by polymorphism. Small
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