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Atomistic Modeling of Reaction Dynamics - Postdoctoral Researcher
Postdoctoral/Fellowship | livermore, CA | 04/12/2024
Job Code: PDS.1 Post-Dr Research Staff 1
Organization: Physical and Life Sciences
Position Type: Post Doctoral
Security Clearance: Anticipated DOE Q clearance (requires U.S. citizenship and a federal background investigation)
Drug Test: Required for external applicant(s) selected for this position (includes testing for use of marijuana)
Medical Exam: Not applicable
Company Description
Join us and make YOUR mark on the World!
Are you interested in joining some of the brightest talent in the world to strengthen the United States’ security? Come join Lawrence Livermore National Laboratory (LLNL) where our employees apply their expertise to create solutions for BIG ideas that make our world a better place.
We are committed to a diverse and equitable workforce with an inclusive culture that values and celebrates the diversity of our people, talents, ideas, experiences, and perspectives. This is important for continued success of the Laboratory’s mission.
Pay Range
$113,760 Annually
Job Description
We have an opening for a Postdoctoral Researcher to conduct research on atomistic modeling of reactivity and transport properties of materials under extreme conditions of pressure and temperature.
The focus area includes predicting transport properties of materials in the warm dense matter and plasma regime using atomistic simulations. You will use machine learning models trained on electronic structure calculations to evaluate self-diffusion, inter-diffusion coefficients and viscosity in strongly-coupled systems. You will also use machine learning models to predict reaction kinetics of materials under experimental conditions.
This position is in the Quantum Simulations Group of the Physics Division.
You will
- Develop machine learned atomistic interatomic potentials trained on electronic structure calculations for large-scale molecular dynamics simulations.
- Perform sophisticated searches for global minima of potential energy surfaces.
- Perform thermodynamic and kinetic analyses of phase transitions and chemical reactions.
- Develop structure-composition-property relationships for optimizing reactivity using statistical, analytical, and machine learning methodologies.
- Contribute to and actively participate in the conception, design, and execution of research to address defined problems.
- Collaborate with computational and experimental scientists in a multidisciplinary team environment to accomplish research goals.
- Pursue independent but complementary research interests and interact with a broad spectrum of scientists internally and externally to the Laboratory.
- Document research, publish papers in peer-reviewed journals, and present results within the DOE community and at conferences/technical meetings.
- Perform other duties as assigned.
Qualifications
- Ability to secure and maintain a U.S. DOE Q-level security clearance which requires U.S. citizenship.
- Ph.D. in Materials Science, Chemistry, Physics, or a related field.
- Experience in the application of density functional theory and/or advanced electronic structure theory to simulations of complex materials and/or chemical reactions.
- Experience performing large-scale ab initio simulations on high-performance computing environments.
- Experience in at least one of the following methods: molecular dynamics, cluster expansion, advanced statistical sampling, kinetic Monte Carlo, or continuum simulations, as applied to the abovementioned applications.
- Ability to work independently on technical tasks, influence technical objectives, to provide in depth analysis, and develop unique technical solutions.
- Ability to develop independent research directions and describe results effectively in published peer-reviewed literature.
- Proficient verbal and written communication skills to collaborate effectively in a team environment, prepare written reports and present and explain technical information.
- Interpersonal skills necessary to interact with a diverse set of scientists, engineers and other technical and administrative staff in a collaborative, multidisciplinary team environment.
Qualifications We Desire
- Experience with training machine learning atomistic models on electronic structure calculations.
- Experience in developing local descriptors for chemical reactions using statistical, analytical, or machine learning methods.
- Experience with simulations of materials in the warm dense matter regime.
- Experience with calculations of transport properties.
Additional Information
All your information will be kept confidential according to EEO guidelines.
Position Information
This is a Postdoctoral appointment with the possibility of extension to a maximum of three years, open to those who have been awarded a PhD at time of hire date.
Why Lawrence Livermore National Laboratory?
- Included in 2024 Best Places to Work by Glassdoor!
- Flexible Benefits Package
- 401(k)
- Relocation Assistance
- Education Reimbursement Program
- Flexible schedules (*depending on project needs)
- Inclusion, Diversity, Equity and Accountability (IDEA) - visit https://www.llnl.gov/diversity
- Our core beliefs - visit https://www.llnl.gov/diversity/our-values
- Employee engagement - visit https://www.llnl.gov/diversity/employee-engagement
Security Clearance
This position requires a Department of Energy (DOE) Q-level clearance. If you are selected, we will initiate a Federal background investigation to determine if you meet eligibility requirements for access to classified information or matter. Also, all L or Q cleared employees are subject to random drug testing. Q-level clearance requires U.S. citizenship.
Pre-Employment Drug Test
External applicant(s) selected for this position must pass a post-offer, pre-employment drug test. This includes testing for use of marijuana as Federal Law applies to us as a Federal Contractor.
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