Postdoctoral Research Associate - Computational Chemist Job at Oak Ridge National Laboratory, Oak Ridge, TN

cGUwNHdzV2xSSFdtcnRqeEszQWM4MjRyZEE9PQ==
  • Oak Ridge National Laboratory
  • Oak Ridge, TN

Job Description

Requisition Id 14535 

Overview:

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.

 

 

We are seeking a Postdoctoral Research Associate who will focus on applying computational methods to perform multiscale modeling and simulation for polymers far from equilibrium. Experience with scalable computational chemistry and/or materials simulation software (LAMMPS) from classical MM to coarse-graining on HPC platforms and machine learning (ML) capabilities is desired. This position resides in the Computational Chemistry and Nanomaterials Sciences Group of the Computational Sciences and Engineering Division (CSED), Computing and Computational Sciences Directorate (CCSD) at Oak Ridge National Laboratory (ORNL). In this role, you will perform computational studies aimed at developing atomistic models and perform simulations for the properties of polymers under non-equilibrium processes.

 

Computational methods will primarily involve density functional theory, density functional tight binding, classical molecular mechanics, coarse-graining, and machine-learning potentials to run molecular dynamics simulations. You will also work within a multidisciplinary, multi-institutional team involving specialists in theory, polymer synthesis, and small angle neutron scattering (SANS) characterization.

 

Major Duties/Responsibilities:

  • Work with a diverse team of scientists seeking to advance scientific understanding of structural and dynamic aspects of multi-functional polymers.
  • Conduct molecular simulations to elucidate the equilibrium/non-equilibrium dynamics.
  • Independently plan and conduct simulations and work with experimentalists to help interpret SANS results and understand structural/dynamic behaviors.
  • Participate in project planning and execution.
  • Present and report research results and publish scientific results in peer-reviewed journals in a timely manner.
  • Ensure compliance with environment, safety, health, and quality program requirements.
  • Maintain strong dedication to the implementation and perpetuation of multi-scale models for polymers.
  • 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:

  • A PhD in theoretical or computational chemistry or closely related field in physical chemistry or chemical physics completed within the last five years
  • Experience with static Density Functional Theory (DFT) calculations (e.g., Quantum Espresso, ORCA, NWChem) and Density Functional Tight Binding (DFTB) calculations (DFTB+) classical molecular dynamics (MD) simulations or MD simulations based on DFT theory (e.g., Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS)), Machine-Learning potentials development (e.g., TorchANI, DeepMD)

 

Preferred Qualifications:

  • Experience or knowledge in some of the following areas: (i) molecular dynamics simulation and analysis for polymer dynamics from scratch (ii) experience in DFT and DFTB (iii) experience in enhanced sampling (e.g., Steered molecular dynamics, Metadynamics); (iv) experience in machine learning potential training (v) transition state calculations (vi) programming skills for Linux systems
  • Excellent record of productive and creative research as demonstrated by publications in peer-reviewed journals
  • 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:

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 up to 24 months with the potential for extension. Initial appointments and extensions are subject to performance and availability of funding.

 

Please provide a list of publications when applying for this position. Three letters of reference are required and can be uploaded to your profile or emailed directly to postdocrecruitment@ornl.gov. Please include the title of the position in the subject line.

 

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

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 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.


If you have trouble applying for a position, please email ORNLRecruiting@ornl.gov.


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.

Job Tags

Holiday work, Relocation package, Flexible hours,

Similar Jobs

University of Chicago (UC)

Student Affairs Administrator | University of Chicago (UC) Job at University of Chicago (UC)

 ...administrative lead and contact for Institute education programs for students and faculty. Works closely with the director(s) of...  ...department liaison with the Office of the Dean of Students in the College, including interactions with college advisors and academic dishonesty... 

Carle Health

Comms Partner - Social Media Job at Carle Health

Overview:The Corporate Communications Partner-Social Media develops social media content, deploys social platform messaging,...  ...Health participates in E-Verify and may provide the Social Security Administration and, if necessary, the Department of Homeland Security with... 

Get It - Marketing

Products Representative - State Farm Agent Team Member - Remote | WFH Job at Get It - Marketing

 ...Insurance Health Insurance Paid Time Off Profit Sharing Role...  ...This role offers the flexibility to work remotely. Key Responsibilities:...  ...development. Flexible work-from-home options. Employment Type: Full-Time Salary: $ 38,000.00 75,000.0... 

World Explorer Travel

Luxury Travel Advisor Job at World Explorer Travel

We are looking for passionate Luxury Travel Advisors! Do you have a love for sharing your travel experiences and knowledge with others? Text 'Luxury' to (***) ***-**** for quick apply We are looking for a travel agent, who is passionate about traveling. As a Luxury Travel...

The Family Church

Remote Video Editor Job at The Family Church

We are looking for a talented Video Editor to assemble recorded footage into a finished project that matches director's vision and is suitable for broadcasting. Ultimately, this role requires a keen eye for detail, creativity, and the ability to work both independently...