Postdoctoral Research Associate in the Physics and Chemistry of Materials Group

What You Will Do The Physics and Chemistry of Materials group (T-1) at Los Alamos National Laboratory is seeking qualified applicants for postdoctoral positions. The candidate will be expected to perform outstanding research at the intersection of machine learning, materials science, and chemistry on world leading HPC systems. The members of the T-1 group, who would sponsor the postdoctoral associate, are experts in theory and simulation of materials as well as the application of machine learning techniques to a wide range of problems. Within the T-1 group, the selected applicant will focus on the development and application of machine learning interatomic potentials (MLIPs) for the prediction of chemical and material properties. Specifically, this research will focus on areas such as catalysis, electrochemistry, soft matter systems such as polymers, and chemical reactivity. Of particular interest is the development of optimal methods for maximizing the improvement of MLIPs from limited, high accuracy data sources, such as those produced by experimental methods or from simulations preformed on a quantum computer. The applicant will work with a variety of database structures and public and LANL owned data to train and validate these models. Once constructed, the candidate will deploy these models on HPC clusters such as El-Capitan to directly impact LANL mission needs. The applicant will also aid in proposal writing and program development to pursue new solutions to current challenges. Finally, the applicant will lead the preparation of manuscripts and develop conference presentations based on modeling successes demonstrated in the mission space. What You Need Minimum Job Requirements: Strong programming skills, notably in Python and deep learning library JAX/Pytorch/Tensorflow, Experience with machine learning models. Demonstrated experience in conducting original scientific research through peer reviewed publication record. Ability to operate autonomously with minimal oversight. Excellent communication skills (both oral and written). A PhD in Computer Science, Applied mathematics, Physics, Chemistry, Materials Science, or related fields, completed within the last five years or soon to be completed. Desired Qualifications: Experience with High Performance Computing (HPC) or Graphics Processing Unit (GPU) computing. Strong programming skills in C/C++ and/or GPU-centric languages such as CUDA. Experience collaborating with experimental researchers in chemistry and materials science. A collaborative spirit with the aptitude to work synergistically within a multi-disciplinary team. U.S. citizen with willingness to apply for a clearance. Work Environment: Work Location: The work location for this position is onsite and located in Los Alamos, NM. All work locations are at the discretion of management. Note to Applicants: Due to federal restrictions contained in the current National Defense Authorization Act, citizens of the People's Republic of China-including the special administrative regions of Hong Kong and Macau-as well as citizens of the Islamic Republic of Iran, the Democratic People's Republic of Korea (North Korea), and the Russian Federation, who are not Lawful Permanent Residents ("green card" holders) are prohibited from accessing facilities that support the mission, functions, and operations of national security laboratories and nuclear weapons production facilities, which includes Los Alamos National Laboratory. Where You Will Work Located in beautiful northern New Mexico, Los Alamos National Laboratory (LANL) is a multidisciplinary research institution engaged in strategic science on behalf of national security. Our generous benefits package includes: PPO or High Deductible medical insurance with the same large nationwide network Dental and vision insurance Free basic life and disability insurance Paid childbirth and parental leave Award-winning 401(k) (6% matching plus 3.5% annually) Learning opportunities and tuitio…

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