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Computational Chemist, Machine Learning And Materials Simulations
2 months ago
Overview:
We are seeking a highly motivated scientist to deliver groundbreaking computational chemical and materials science at the forefront of the field through the development and use of machine learning, deep learning, advanced free energy simulations, and high-performance computing (HPC). This position resides in the Chemical Separations Group in the Separations and Polymer Section, Chemical Sciences Division, Physical Sciences Directorate, at
Oak Ridge National Laboratory (ORNL).
As part of our team, you will work with computational and experimental researchers in the areas of separations, molten salts, interfacial science, and energy related processes with an emphasis on advanced atomistic simulations of chemical and materials properties. Experience in modeling interfaces and developing machine learning interatomic potentials to enable free energy simulations is highly desirable.
As a U.S. Department of Energy (DOE) Office of Science national laboratory, ORNL has an extraordinary 80-year history of solving the nation’s biggest problems. We have a dedicated and creative staff of over 6,000 people Our vision for diversity, equity, inclusion, and accessibility (DEIA) is to cultivate an environment and practices that foster diversity in ideas and in the people across the organization, as well as to ensure ORNL is recognized as a workplace of choice. These elements are critical for enabling the execution of ORNL’s broader mission to accelerate scientific discoveries and their translation into energy, environment, and security solutions for the nation.
Major Duties/Responsibilities:
-Development and evaluation of statistical and machine learning tools for designing and understanding functional materials using the leadership class high performance computing facilities available at ORNL and other DOE facilities.
-Work with multi-disciplinary teams modeling and simulation techniques to bulk materials and interfaces, supporting both fundamental research and applied programs.
-Publishing papers in high-quality refereed journals and conferences such as journals from the American Chemical Society, Nature, etc.
-Actively collaborating with industry, academia, government labs, and applications developers in a variety of venues.
-Contributing to research proposals and reporting to major funding agencies.
-Deliver ORNL’s mission by aligning behaviors, priorities, and interactions with our core values of Impact, Integrity, Teamwork, Safety, and Service. Promote diversity, equity, inclusion, and accessibility by fostering a respectful workplace – in how we treat one another, work together, and measure success.
Basic Qualifications:
-A Ph.D. in computational chemistry, chemical engineering, materials science, or a related discipline.
-A minimum of 2 years of relevant research experience beyond the Ph.D.
-A well-established track record of research in chemistry and/or materials science.
-Experience in employing advanced statistical mechanics methods and machine learning for simulations of materials.
Preferred Qualifications:
-Programming experience using Python for workflow development, scientific computing, and data analysis and visualization.
-Demonstrated knowledge and experience in advanced free energy simulations methods, such as thermodynamic integration, meta dynamics, and umbrella sampling.
-Experience in developing and utilization of machine learning interatomic potentials to enhance predictive modeling of chemical processes and materials.
-Demonstrated experience in modeling solid-liquid interfaces.
-Excellent interpersonal skills, oral and written communication skills.
-Motivated self-starter with the ability to work independently and to participate creatively in collaborative teams across the laboratory.
-Ability to function well in a fast-paced research environment, set priorities to accomplish multiple tasks within deadlines, and adapt to ever changing needs.
Benefits at ORNL:
ORNL offers competitive pay and benefits programs to attract and retain talented people. The laboratory offers many employee benefits, including medical and retirement plans and flexible work hours, to help you and your family live happy and healthy. Employee amenities such as on-site fitness, banking, and cafeteria facilities are also provided for convenience.
Other benefits include the following: Prescription Drug Plan, Dental Plan, Vision Plan, 401(k) Retirement Plan, Contributory Pension Plan, Life Insurance, Disability Benefits, Generous Vacation and Holidays, Parental Leave, Legal Insurance with Identity Theft Protection, Employee Assistance Plan, Flexible Spending Accounts, Health Savings Accounts, Wellness Programs, Educational Assistance, Relocation Assistance, and Employee Discounts.
If you have difficulty using the online application system or need an accommodation due to a disability, please email:
ORNLRecruitingornl.gov
.
This position will remain open for a minimum of 5 days after which it will close when a qualified candidate is identified and/or hired.
We accept Word (.doc, .docx), Adobe (unsecured .pdf), Rich Text Format (.rtf), and HTML (.htm, .html) up to 5MB in size. Resumes from third party vendors will not be accepted; these resumes will be deleted and the candidates submitted will not be considered for employment.
If you have trouble applying for a position, Apply ORNLRecruitingornl.gov.
ORNL is an equal opportunity employer. All qualified applicants, including individuals with disabilities and protected veterans, are encouraged . UT-Battelle is an E-Verify employer.
