Postdoc - AI/ML and Multiscale Modeling of Materials under Non-Equilibrium Conditions

Requisition Id16392

Overview:

We are seeking a highly qualified Postdoctoral Research Associate with experience in developing and/or applying AI/ML methods to model, understand, and discover novel phenomena in materials under non-equilibrium conditions relevant to ion beam-driven processes, field-driven dynamics, and materials synthesis and processing. The position resides in the Nanomaterials Theory Institute (NTI)at the Center for Nanophase Materials Sciences (CNMS) Division, Physical Sciences Directorate (PSD) at Oak Ridge National Laboratory (ORNL) and will be associated with the Multiscale Dynamics (MD) science theme at the CNMS and related activities.

As part of our research team, you will be working with a highly interdisciplinary team of scientists at the CNMS, and across other divisions at ORNL.

Major Duties/Responsibilities:

• Work closely with other members of NTI and CNMS to provide theory and simulation support, including large-scale molecular dynamics, for materials under non-equilibrium conditions relevant to ion-matter interactions, dynamic ionic motion in solids under applied fields, and synthesis and processing methods such as plasma etching and focused ion beam exposure.
• Develop and apply AI/ML algorithms to enable accelerated discovery of new materials and scientific insights into materials under non-equilibrium and dynamic conditions, leveraging LLM tools when appropriate. This may include the development of machine-learning interatomic potentials (MLIPs), foundational AI models, Bayesian on-the-fly approaches for multi-fidelity simulation and learning, ML methods for beam-induced material modification, synthesis and processing, high-throughput DFT workflows, and interpretable and explainable AI model development.
• Support experimental efforts within the Multiscale Dynamics theme, where the focus is largely on materials relevant to next-generation microelectronics, quantum information systems and energy applications.
• Present and report research results and publish in peer-reviewed journals in a timely manner
• Ensure compliance with environment, safety, health, and quality program requirements
• Maintain a strong commitment to the implementation and perpetuation of values and ethics.

• Deliver ORNL's mission by aligning behaviors, priorities, and interactions with our core values of Impact, Integrity, Teamwork, Safety, and Service. Promote equal opportunity by fostering a respectful workplace - in how we treat one another, work together, and measure success.

Basic Qualifications:

• PhD in Condensed Matter Physics, Materials Science, Chemistry, Physics, or a closely related science discipline completed within the last five years

Preferred Qualifications:

• A strong background in atomistic and/or continuum modeling of materials under non-equilibrium conditions, including beam-matter interactions, high fields, non-equilibrium synthesis, with an emphasis on solid-state materials (2D materials, ultra-wide bandgap semiconductors, ferroelectrics, twisted materials etc.)
• Hands-on expertise in developing and applying machine-learned interatomic potentials (MLIPs) to problems in solid-state materials
• A demonstrated record of applying advanced AI/ML methods for scientific discovery
• Expertise in using high-performance computing (HPC) platforms for enabling advanced scientific discovery
• A record of productive and creative research proven by publications in peer-reviewed journals and/or conference presentations
• Demonstrated ability to initiate and advance research directions independently
• Demonstrated ability to contribute creatively and effectively within a collaborative team environment
• Demonstrated ability to manage multiple priorities, adapt to evolving research needs, and work effectively across multiple projects in a collaborative research environment
• Excellent written and oral 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.

Special Requirements:

Security, Credentialing, and Eligibility Requirements:

For employment at Oak Ridge National Laboratory (ORNL), a Real ID compliant form of identification will be required. Additionally, ORNL is subject to Department of Energy (DOE) access restrictions. All employees must also be able to obtain and maintain a federal Personal Identity Verification (PIV) card as mandated by Homeland Security Presidential Directive 12 (HSPD-12) and Department of Energy (DOE) Order 473.1A, which requires a favorable post-employment background investigation.

To obtain this credential, new employees must successfully complete and pass a Federal Tier 1 background check investigation. This investigation includes a declaration of illegal drug activities, including use, supply, possession, or manufacture within the last year. This includes marijuana and cannabis derivatives, which are still considered illegal under federal law, regardless of state laws.

For foreign national candidates:
If you have not resided in the U.S. for three consecutive years, you are not eligible for the PIV credential and instead will need to obtain a favorable Local Site Specific Only (LSSO) risk determination to maintain employment. Once you meet the three-year residency requirement, you will be required to obtain a PIV credential to maintain employment.

Postdocs:

Applicants cannot have received their Ph.D. more than five years prior to the date of application and must complete all degree requirements before starting their appointment. The appointment length will be for up to 24 months with the potential for extension. Initial appointments and extensions are subject to performance and the availability of funding.

Letters of Recommendation:

Please submit three letters of reference when applying to this position. You may upload these directly to your application or have them sent to psdrecruit@ornl.gov.

Instructions to upload documents to your candidate profile:

• Login to your account via jobs.ornl.gov
• View Profile
• Under the My Documents section, select Add a Document

About ORNL:

As a U.S. Department of Energy (DOE) Office of Science national laboratory, ORNL has an impressive 80-year legacy of addressing the nation's most pressing challenges. Our team is made up of over 7,000 dedicated and innovative individuals! Our goal is to create an environment where a variety of perspectives and backgrounds are valued, ensuring ORNL is known as a top choice for employment. These principles are essential for supporting our broader mission to drive scientific breakthroughs and translate them into solutions for energy, environmental, and security challenges facing the nation.

ORNL offers competitive pay and benefits programs to attract and retain individuals who demonstrate exceptional work behaviors. The laboratory provides a range of employee benefits, including medical and retirement plans and flexible work hours, to support the well-being of you and your family. Employee amenities such as on-site fitness, banking, and cafeteria facilities are also available for added 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 to apply due to a disability, please email: ORNLRecruiting@ornl.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.

ORNL is an equal opportunity employer. All qualified applicants, including individuals with disabilities and protected veterans, are encouraged to apply. UT-Battelle is an E-Verify employer.