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BioXFEL BioVizSim Village: Experiencing Molecules

BioXFEL BioVizSim Village: Experiencing Molecules

As part of the BioXFEL outreach program at ASU three highschool students and one undergraduate student worked in the Lab in the “BioVizSim Village” for ten days on the Experiencing Molecules Project.

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Density Functional Theory Simulation of Rhodium Nanoframes and Carbon Nanotube–Graphene Pillars

Density Functional Theory Simulation of Rhodium Nanoframes and Carbon Nanotube–Graphene Pillars

As part of his applied project for his Professional Science Master’s in Nanoscience at ASU, Ben Folsom constructed theoretical models for recently synthesized hollowed rhodium nanoframe and covalently bonded carbon nanotube–graphene pillars based on the TEM images provided in the source publications. Using density functional theory (DFT) calculations he investigated the interaction of nanoframes and nanotube pillars.

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Molecular Dynamics Simulation of a Carbon Nanotube Gigahertz Oscillator

Molecular Dynamics Simulation of a Carbon Nanotube Gigahertz Oscillator

As part of his final project for the course Simulation Approaches to Bio- and Nanophysics (ASU PHY494/PHY598), C. Michael Gilbert performed classical molecular dynamics simulations of a smaller carbon nanotube in a larger one.

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