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• Carrying out state-of-the-art theoretical calculations of the electronic and vibrational properties of organic molecules of relevance for long-wavelength infra-red (LWIR) imaging applications. Exploit machine learning tools to explore data bases of organic molecules and uncover the structural features that make them well adapted for these applications.
•  Orienting the research projects towards organic molecules that show promise for co-polymerization with sulfur for LWIR applications.

Knowledge, Skills & Abilities:

• Demonstrated ability to collaborate effectively with experimental research groups.
• Demonstrated ability to take care of reporting on research projects.
• Strong oral and written communications skills.

• Doctorate degree in a related field; the selected candidate must have a conferred Doctorate degree upon hire.

• Ph.D. in Computational Chemistry, Computational Physics, or Computational (Materials) Science.
• Very strong combined experience in: (1) multi-scale simulations of organic or inorganic materials; (2) first-principles quantum mechanical calculations of the electronic structure of molecular systems, surfaces, interfaces, and periodic systems; and (3) data science /machine learning methodologies.
• Experience in languages such as C++, Python, FORTRAN, R (data analytics), MATLAB.