Scientific Researcher

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Job Summary

Scientific Researcher staff position for advanced computational chemistry and biochemistry studies as directed by Prof. William Goddard within the Materials and Process Simulation Center in the Division of Chemistry and Chemical Engineering
Essential Job Duties

Investigating signal transduction mechanisms through G protein-coupled receptors and drug discovery.

• Developing antiviral drug targeting SARS-CoV-2 Nsp1.
• Designing novel PROTACs (proteolysis targeting chimeras) for precision cancer therapy.
• Developing reactive force fields (ReaxFF) for describing next-generation energy materials.
• Investigating the solid electrolyte interphase (SEI) for high-efficiency Li metal batteries.
• Predicting proton transfer mechanisms in polymer electrolyte membranes.
• Investigating structural and dipole dynamics in molecular electrets.
• Predicting formation processes and reaction mechanisms of nanomaterials.

Basic Qualifications

• BS and PhD in Chemistry, Physics or Materials Science.
• Excellent understanding of quantum mechanics, molecular dynamics, force fields for chemical systems.
• A good understanding of electronic structure of materials, reaction kinetics and electrochemical system.
• Excellent communication skills
• Eagerness to learn and tackle challenging impossible simulations.

Preferred Qualifications

• Familiar with Ab-initio calculation packages (VASP(plane wave basis set), JAGUAR(Gaussian basis sets), CRYSTAL(hybrid DFT with Gaussian basis sets)), MD simulation software (LAMMPS), bond-detecting toll for solids (LOBSTER), and open-source package for atomic simulations (ASE, MP_API, Pymatgen).

Required Documents

• CV