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Fully Funded Ph.D. Positions on MD Simulations of CO2 Gas Hydrates

I am looking to fill two fully funded Ph.D. positions on a DOE grant that focuses on coarse-grained molecular dynamics (MD) simulation of CO2 gas hydrates. The position requires an MS degree and research experience with MD, LAMMPS, or GROMACS. One of the two positions will involve applying deep learning to develop coarse-grained MD force fields. Please feel free to contact me if you meet these requirements.

Responsibilities

The responsibilities will include one or more of the following:

  • Perform coarse-grained MD simulations of gas hydrates using LAMMPS or GROMACS
  • Calibrate coarse-grained MD force fields for different gases
  • Use deep learning methods to develop coarse-grained MD force field

Qualifications

  • Experience with LAMMPS or GROMACS, Unix and VMD
  • An MS degree with a thesis on MD simulation will be ideal
  • Excellent verbal and written communication skills
  • Scientific journal publication record
  • Strong computer programming skills in Python (and/or C++)

Student Worker Positions Available

Two different student worker positions available. Both positions are part of an exciting DOE-funded project, which involves storing carbon dioxide in solid hydrates for a greener future climate. Both positions are 10 hours per week and at standardized university rates.

If you are interested, please send me an email with (1) your resume, (2) your official/unofficial transcript, and (3) the student worker position you are interested in (either 1 or 2 below) at folorode@lsu.edu.

The related majors include (but are not limited to) computer science, chemistry, physics, chemical engineering, petroleum engineering, and applied mathematics.

The positions are summarized below:

1. Assisting with Post-Processing of Molecular Dynamics Simulation Runs:

This position requires Unix Terminal or HPC experience. It will involve assisting with the post-processing of molecular dynamics simulation results. To learn more about this, please check out the videos and pictures available as a supplementary file to our recent publication (https://doi.org/10.1021/acs.jpcb.3c03391).

2. Assisting with Running and Testing Deep Learning Models:

This position requires Unix Terminal or HPC experience. It will involve assisting with running and testing deep learning models. This position is more tailored to Seniors who have taken (or are taking) a deep learning course.