The Chemical Sciences and Engineering (CSE) Division is seeking applicants for a postdoctoral appointee who will conduct computational research in transition metal containing clusters for the photocatalytic conversion of small molecules (e.g., CO2). The project involves performing quantum mechanical calculations to identify the structures and to study the photochemical and photocatalytic properties of the clusters. This research is closely aligned with the corresponding experimental studies. **Position Requirements** + This level of knowledge is typically achieved through a formal education in physical chemistry, inorganic chemistry, computational materials science, or chemical engineering at the Ph.D. degree level with 0 to 5 years of experience or equivalent in the scientific application of this knowledge and computational research experience + Comprehensive understanding of quantum mechanics and electronic structure theory is critical + Considerable computational expertise in using quantum mechanical methods to calculate electronic and photochemical properties and catalytic reaction mechanisms on homogeneous and heterogeneous catalysts is essential + Considerable skill in written and oral communication is a requirement + Experience in time-dependent density functional theory (TDDFT) methods and excited states optimization would be an asset + Ability to model Argonne’s Core Values: Impact, Safety, Respect, Integrity, and Teamwork **Job Family** Postdoctoral Family **Job Profile** Postdoctoral Appointee **Worker Type** Long-Term (Fixed Term) **Time Type** Full time _As an equal employment opportunity and affirmative action employer, and in accordance with our core values of impact, safety, respect, integrity and teamwork, Argonne National Laboratory is committed to a diverse and inclusive workplace that fosters collaborative scientific discovery and innovation. In support of this commitment, Argonne encourages minorities, women, veterans and individuals with disabilities to apply for employment. Argonne considers all qualified applicants for employment without regard to age, ancestry, citizenship status, color, disability, gender, gender identity, gender expression, genetic information, marital status, national origin, pregnancy, race, religion, sexual orientation, veteran status or any other characteristic protected by law._ _Argonne employees, and certain guest researchers and contractors, are subject to particular restrictions related to participation in Foreign Government Sponsored or Affiliated Activities, as defined and detailed in United States Department of Energy Order 486.1A. You will be asked to disclose any such participation in the application phase for review by Argonne's Legal Department._ _All Argonne offers of employment are contingent upon a background check that includes an assessment of criminal conviction history conducted on an individualized and case-by-case basis. Please be advised that Argonne positions require upon hire (or may require in the future) for the individual be to obtain a government access authorization that involves additional background check requirements. Failure to obtain or maintain such government access authorization could result in the withdrawal of a job offer or future termination of employment._