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Spring 2018 – Computational Investigations of Molecular Gyroscopes

Affiliations:
Project Leader: Lars Erik Andreas Ehnbom
lehnbom@tamu.edu
Chemistry
Faculty Mentor:
John A. Gladysz, Ph.D.; Michael B. Hall, Ph.D.; Lisa M. Pérez, Ph.D.
Meeting Times:
Th 1.00PM-3.00 PM
Team Size:
7 (Team Full)
Open Spots: 0
Special Opportunities:
Can earn research credit (1 credit), co-authorship on publications, obtain knowledge and practice using quantum chemical software (Gaussian09), submitting jobs using supercomputers, as well as data analysis (e.g. KaleidaGraph™ for graph plotting, Mercury™, Avogadro™, and AGUI™ for visualizations). Preparation of posters and scientific presentations. Receive letters of recommendation for work or graduate school. This Spring we will focus on participating in Student Research Week (SRW).
Team Needs:
Participants must be accountable and self-motivated with a strong work ethic. Be dedicated, highly motivated, hardworking, and enthusiastic! Computing skills are not a requirement.
Description:
Gyroscopes have numerous technological applications, but until the work in the Gladysz group, no molecules that mimic the symmetry, connectivity, and rotational abilities of common toy gyroscopes were known. In a computational tour-de-force, we study entire families of complexes called molecular gyroscopes that have a static outer cage part and an inner part featuring a transition metal bearing ligands that may rotate. These components are systematically varied in this study and different properties are probed using computational tools.

Written by:
Jennie Lamb
Published on:
February 7, 2020

Categories: FullTags: Spring 2018

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