Location: Los Alamos, NM
Cap-Exempt H-1B Position — No lottery required
**What You Will Do** The Physics and Chemistry of Materials Group, T-1, in the Theoretical Division at Los Alamos National Laboratory seeks outstanding candidates for a postdoctoral research associate position focused on the development and application of quantum algorithms for quantum dynamics simulations of rare-earth element separation processes. The successful candidate will join a multidisciplinary team working at the interface of theoretical chemistry, quantum dynamics, and quantum information science. The project will develop quantum and quantum-inspired algorithms to study f-element chemical systems, with an emphasis on lanthanide and actinide complexes relevant to separations chemistry. This effort views quantum computing capability development broadly: advances in quantum algorithms should not only prepare for emerging quantum hardware, but also improve classical algorithms, reduced models, benchmarking approaches, and physical understanding. The candidate will help develop methods that connect quantum information science with theoretical chemistry and apply them to chemically realistic systems. We provide unique opportunities for cross cross-disciplinary and cross-institutional collaborations, scientific workshop organization, and conference attendance. **What You Need** **Minimum Job Requirements:** - A Ph.D. in Physics, Chemistry, Materials Science, or related physical sciences, completed within the last 5 years or to be completed soon. - Strong background in theoretical chemistry, computational chemistry, chemical physics, or a closely related field. - Demonstrated experience developing multireference electronic structure methods, such as CASSCF, MRCI, selected configuration interaction, or related approaches. - Programming experience in at least one scientific programming language, such as Python, Fortran, C/C++, Julia, or a related language. - Demonstrated experience conducting original scientific research, as evidenced by peer-reviewed publications,