NCSI: Structures and Properties of Strongly Bound Doped Metalloid Atomic Clusters

Status	Completed
Mentor Name	Jonathan Lyon
Mentor's XSEDE Affiliation	User
Mentor Has Been in XSEDE Community	4-5 years
Project Title	Structures and Properties of Strongly Bound Doped Metalloid Atomic Clusters
Summary	We intend to study strongly bound doped metalloid atomic clusters, which are potentially useful as models for the active sites in heterogeneous catalysis and for components in the electronics industry. Specifically, we intend to continue our investigations of understanding how the properties of silicon clusters change when different doping concentrations in the silicon clusters are utilized.
Job Description	Student will perform theoretical chemistry calculations using the Gaussian program on the COMET cluster at SDSC. This student will learn programming with UNIX and FORTRAN.
Computational Resources	This project will make use of the COMET cluster at SDSC through XSEDE.
Contribution to Community
Position Type	Learner
Training Plan	I have trained several students previously in these programs, and plan on training this student in a similar way.
Student Prerequisites/Conditions/Qualifications
Duration	Semester
Start Date	01/01/2020
End Date	05/08/2020