Postdoctoral Appointee - Modeling Nanoporous Materials, Hybrid

About the role

About Sandia: Sandia National Laboratories is the nation's premier science and engineering lab for national security and technology innovation, with teams of specialists focused on cutting-edge work in a broad array of areas. Some of the main reasons we love our jobs: Challenging work with amazing impact that contributes to security, peace, and freedom worldwide Extraordinary co-workers Some of the best tools, equipment, and research facilities in the world Career advancement and enrichment opportunities Flexible work arrangements for many positions include 9/80 (work 80 hours every two weeks, with every other Friday off) and 4/10 (work 4 ten-hour days each week) compressed workweeks, part-time work, and telecommuting (a mix of onsite work and working from home) Generous vacation, strong medical and other benefits, competitive 401k, learning opportunities, relocation assistance and amenities aimed at creating a solid work/life balance World-changing technologies. Life-changing careers. Learn more about Sandia at: http://www.sandia.gov These benefits vary by job classification. What Your Job Will Be Like: Are you ready to put your computational skills to work designing high-performance materials for mission-driven applications? Our multidisciplinary team is seeking a motivated postdoctoral appointee with expertise in molecular and/or atomistic modeling and background in adsorption, catalysis, metal-organic frameworks, or similar. On any given day, you may be called on to: Plan, conduct, and analyze computer simulations of nanoporous materials and surface phenomena at the atomistic scale. Develop and maintain simulation workflows and data-analysis tools for acceleration of materials design and discovery. Apply machine learning or artificial intelligence to advance simulation methods, enable high-throughput workflows, or discover data-driven relationships. Work in collaboration with experimentalists to apply simulation to experimental design and interpretation of experimental data. Integrate materials knowledge to formulate research hypotheses, propose and carry out research. Communicate accomplishments and impact by presenting at internationally recognized conferences, publishing in peer-reviewed journals, and engaging with program managers. This position is eligible for telecommuting and the selected applicant must live within a reasonable distance for commuting to the assigned work location when necessary. Qualifications We Require: PhD in chemistry, chemical engineering, materials engineering, or closely related science or engineering field. The ability to obtain and maintain a DOE Q-level security clearance. Qualifications We Desire: Proficiency with molecular and quantum simulation methods (e.g., molecular dynamics, density functional theory, Grand Canonical Monte Carlo) and software (e.g., LAMMPS, VASP, Quantum Espresso, RASPA). Experience modeling nanoporous materials, adsorption, heterogeneous catalysis, or surface phenomena for applications like chemical separation, catalysis/alloy design, and chemical sensing. Experience applying high-throughput simulation to materials down selection or design. Experience using scientific machine learning to accelerate simulation workflows and data analysis. Proficiency in scientific scripting and/or programming (e.g., Python, Matlab, C/C++, Fortran). Familiarity with high-performance computing (Linux environment, SLURM, etc.). Strong written and verbal communication skills evidenced by a history of publishing original research in peer-reviewed journals and presentations at professional conferences. Track record of collaboration with multi-scale theoretical and experimental teams. Demonstrated ability to build effective working relationships and develop creative solutions in team environments. About Our Team: The Computational Materials Science Department applies materials modeling on multiple length scales to accelerate engineering solutions and drive materials discovery and design for Sandia¿s missions. Our expertise spans a diversity of materials (including polymers, ceramics, composites, alloys, ferroelectrics, and metal-organic frameworks) and a breadth of computational methods from density functional theory and molecular dynamics to mesoscale and microstructure-informed continuum simulations. Posting Duration: This posting will be open for application submissions for a minimum of three (3) calendar days, including the 'posting date'. Sandia reserves the right to extend the posting date at any time. Security Clearance: Sandia is required by DOE to conduct a pre-employment drug test and background review that includes checks of personal references, credit, law enforcement records, and employment/education verifications. Applicants for employment need to be able to obtain and maintain a DOE Q-level security clearance, which requires U.S. citizenship. If you hold more than one citizenship (i.e., of the U.S. and another country), your ability to obta