Position Details

We are trying to find ways to solve the Schrodinger’s equation for the electrons in a molecule, an example of a many-body problem with exponential scaling with system size. As such, the biggest issue facing us is the fact that the calculation is beyond computing power of modern computers. We are looking for a motivated undergraduate to investigate how effective our current implementation is by using Python for graphical data analysis.

Quantum chemistry codes are frequently derived in academic groups and then distributed to the wider community and into industry. We write codes that we open source (on github) which use computer simulations to run complex algorithms and participate in problem solving for quantum physics-based problems pertaining to the chemistry of molecules and bonding. Problems are approached using coding in various languages, though our group language is Python, and involve working with various size data sets.

You will gain skills in computing, critical thinking, information processing, teamwork, and physical chemistry content knowledge. If you are successful, you will be given the opportunity to present at a local or national conference. If your work contributes to a paper being written by the group you would be listed as a co-author.

Website

Qualifications
Undergraduates of any year are welcome to apply. Due to the intricate training required, students with 2+ years left before they graduate are strongly preferred. For this project in our group you need experience in coding using any one modern language (Python, C++, Matlab, and Java); patience/flexibility to learn/do chemistry using a computer; problem-solving abilities; and the ability to work as part of a small team. Pre-requisites include good proficiency (GPA > 3.0) in physics/math/computer science and chemistry at the high school level or better. Candidates should be in good academic standing. 

Time Commitment
5-10 hours per week during the academic year. 15-20 hours per week during the summer. Timesheets used. Details negotiable.

Start Date
Immediate
Fall, Spring, or Summer Semester

Project Duration 
Ongoing or potential to be a continuous position

Compensation
Volunteer (Optional 0-credit hour course for transcript recognition)
Academic Credit (1-4 semester hours)
Opportunity to advance to paid position

How to Apply
Please email Prof. James Shepherd (james-shepherd@uiowa.edu) directly with what interests you in the description above. Please also give relevant details of your courses.