Current Workshops
We are pleased to host an advanced virtual workshop on February 3rd and 4th, from 2 to 5 pm eastern time each day, focusing on the formalism and practical implementation of rigorous Hamiltonians for molecular cavity quantum electrodynamics! To get a zoom link, please indicate your interest in this workshop here: https://forms.gle/FkZrGzd85LijQ7z77. Do not hesitate to contact Jay Foley at jfoley19@charlotte.edu for additional information.
On Monday, we will introduce the formalism of molecular CQED in a virtual lecture style, and on Tuesday, we will implement two rigorous models for vibrational strong coupling between a molecule and a single cavity mode in python in a live-coding session. Prior to day 2, we will provide a link to a GitHub repository with a partially completed Jupyter notebook that you may use to code along with us in the live-coding session. We will work from our group’s notes on ab initio CQED, specifically Chapter 2 for the formalism and Chapter 3 for the implementation as python code.
We hope to make this virtual workshop engaging and interactive, so we will monitor the chat for questions, and we will include time for Q&A and short breaks (and probably a few mistakes from us as we present the material and go through the live coding!)
Past Workshops
See the schedule of the 2024 Workshop!
The University of North Carolina Charlotte is hosting a Workshop in Computational Chemistry on June 3-7, 2024, in partnership with the Molecular Sciences Software Institute (MolSSI) and the Center for Many-body Methods and Spectroscopies for Polariton Chemistry (MAPOL). This free five-day workshop is open to students majoring in chemistry-related fields. We particularly encourage students from groups historically excluded from STEM fields to apply; no prior programming experience is required! We will provide lodging and meals for all participants. Preference will be given to sophomores and juniors undergraduates, but all students graduate and undergraduate are welcome to apply. The workshop focuses on scientific programming skills and applications in computational chemistry. Our goal is to enhance the students’ opportunity to land an undergraduate research experience, job, or internship in computational chemistry.
The workshop will be led by:
- Professor Ashley McDonald, Department of Chemistry and Biochemistry, California Polytechnic State University
- Dr. Jessica Nash, MolSSI Software Scientist
- Professor Jay Foley, Department of Chemistry, University of North Carolina Charlotte
In addition to the hands-on workshop, leading researchers in computational molecular science will give lectures discussing how theory and computation are used in their work. Enhancement seminars will be given by Prof. Elisa Pieri from UNC Chapel Hill, Dr. Niri Govind from Pacific Northwest National Lab, and Prof. Chris Sutton from University of South Carolina.
Partnership with the NanoSURE REU Program: We have planned this workshop so that participants in the UNC Charlotte NanoSURE REU program can also participate in this event. You must apply to both programs separately, but will be asked if you have applied or plan to apply to this REU program on the workshop application.
Outcomes: Students will learn valuable skills that can be applied in their science courses, research, and their job search, including:
– Scientific programming using the python programming language
– Graphing and data visualization
– Using programming and computational chemistry to compute properties of chemical systems
– Applying computational chemistry to the exciting field of polariton chemistry
Other eligibility information: In order to participate in this workshop, you must be a student at a University, College, or other institution of Higher Learning in the United States. U.S. Citizenship is not a requirement. Completion of the undergraduate general chemistry, general physics, and calculus sequence is also required, and an introductory course on quantum mechanics (such as in the physical chemistry sequence) is also encouraged.