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Project TitleSelf-assembly of small-molecule semiconductors
SummaryCreate models of small-molecule semiconductors (e.g., fullerenes and perylene derivatives) and use simulations to understand how their shapes and interactions influence how they arrange. The results of this work will be used to inform the design of organic solar cells.
Job DescriptionMolecular dynamics simulations will be used to understand the phase behavior of self-assembling small molecules. The intern will perform simulations using models with different amounts of detail to understand how model assumptions (for example, whether two or three adjacent carbon atoms are represented by a single simulation element) influence the structures that are assembled and the temperatures and pressures at which ordered assemblies are observed. Simulations will be performed using HOOMD-Blue on NVIDIA GPUs both on-site at Boise State University and at national supercomputer facilities. Simulation script development and analysis routines will be used extensively, primarily written in Python.
Start Date06/15/2016
End Date06/16/2017
LocationBoise, ID - Computational Materials Lab, Materials Science Department, Boise State University
Kendra Noneman