Computational Analysis of Materials for Sustainability
Posted on: 09/28/2021
Contact: Kristin Persson (firstname.lastname@example.org)
Description: The group of Prof. Kristin Persson within the Materials Science Division (MSD) has an opening for postdoctoral fellow(s). Our research covers a range of topics and disciplines broadly spanning materials and molecules in liquids, solids, and interfaces with applications in innovative energy storage technologies and sustainable materials.
Responsibilities may include:
- Developing novel computational methods for the rational design of molecules or materials.
- Compiling data into research databases.
- Performing first-principles calculations, e.g. using VASP, Q-Chem, etc.
- Performing classical or first-principles molecular dynamics calculations
- Using simulations to predict thermodynamic, kinetic, and spectroscopic properties.
- Maintaining and extending Materials Project software infrastructure.
Qualifications: The following will be considered in determining appropriate candidates:
Areas of expertise currently needed:
- Aqueous reaction kinetics and thermodynamics
- Polymer degradation
- Molecular dynamics of liquid electrolytes
- Reaction networks
- High-throughput workflow development
- A recent Ph.D. in physics/chemistry/materials science or a related field.
- Excellent written and oral communication skills.
- The ability to work as an independent researcher with a high level of scientific judgment and initiative.
- Participation in collaborative efforts as a member of a diverse research team.
- Demonstrated ability to support Principal Investigators in preparing proposals and project management.
- Comfortable with computer programming.
- Experience in electronic structure calculations.
- Experience in maintaining software packages written in Python and collaborative (Git) workflows.
- Experience with machine learning methods.
Application Instructions: Applicants are encouraged to send a cover letter and a CV in pdf format to email@example.com.