This position will focus on theory and methods development in support of a RIXS spectrometer the National Institute of Standards and Technology (NIST) is building at NSLS-II. The instrument is specifically designed for high-speed measurements of catalytic systems and will enable new and highly sensitive experiments. Consequently, the postdoc will aid a range of projects intended to improve both the speed and fidelity of RIXS simulations within the OCEAN suite of programs maintained by NIST. This work will be leveraged to understand the electronic structure of small molecule adsorbates on surfaces and within porous materials.

 

The work will be carried out in close collaboration with a hybrid team of experimentalists and theorists at NIST and partners at external synchrotron light sources. The postdoc will have the opportunity to help design experiments that test our theoretical approximations, particularly those leveraging an existing prototype spectrometer.

 

 

• The candidate should have or soon obtain a Ph.D. in Physics, Chemistry, Materials Science and Engineering, or a related field.

• Suitable candidates will be comfortable running density functional theory calculations and have a familiarity with computer programming (scripting languages or compiled languages are acceptable).

• A strong candidate will have one or more of the following: experience with first-principles spectroscopy or other post-DFT calculations like GW self-energies, developing and testing new approximations or models (functionals, plasmon poles, etc), or programming for parallel computer systems using MPI, OpenMP, or other standard APIs.

 

 

Our team members are located in the United States in Gaithersburg, MD, Boulder, CO, and Upton, NY. Applicants should contact [email protected] with a CV and short statement of interest, no more than 2 pages and 1 page, respectively. The anticipated start date will be in the spring or summer of 2023.