Lawrence Livermore National Laboratory

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Postdoctoral Research Staff Member

Location:  Livermore, CA
Category:  Post Docs
Job ID: 103661
Job Code: 
Date Posted: 

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Science and Technology on a Mission!

For more than 60 years, the Lawrence Livermore National Laboratory (LLNL) has applied science and technology to make the world a safer place.

We have an opening for a Postdoctoral Research Staff Member in the field of first-principles. You will conduct research to address outstanding problems in the theoretical description and simulation of electronic systems under strong thermodynamic forces and flows, such as those induced by strong electric potentials and thermal gradients. This position is in the Quantum Simulations group in the Condensed Matter Section of the Physics Division.

Essential Duties
- Design and perform simulations using state-of-the-art first-principles approaches, including ab-initio molecular dynamics and quantum chemistry methods.
- Develop theoretical approaches to evaluate transport properties under strong thermodynamic forces.
- Implement new theoretical approaches into existing large electronic structure packages.
- Present formal and informal overview of research progress at weekly meetings.
- Comply with all relevant aspects of the Integrated Safety Management System and business practice requirements and policies.
- Comply with all applicable security and fiscal policies of the Laboratory.
- Participate in existing Division collaborations and alliances with academia and industry.
- Publish research results in external peer-reviewed scientific journals and participate in international conferences.
- Perform other duties as assigned.

- Recent PhD in computational materials science, physics, chemistry, or related discipline.
- Experience in the use of first-principles electronic structure methods and molecular dynamics.
- Experience in the simulation of non-adiabatic dynamics or non-equilibrium electronic systems from first principles.
- Experience devising efficient codes on parallel computing platforms to solve problems in condensed matter physics and alloys.
- Proficient verbal and written communication skills to collaborate effectively in a team environment and present and explain technical information.
- Experience programming electronic structure methods.
- Documented publication record in peer-reviewed journals.
- Decision-making skills necessary to independently solve problems and the ability to work effectively in a team environment.

Desired Qualifications
- Experience in quantum chemistry for extended system, Green functions, open systems.
- Experience in the development and application of nonadiabatic molecular dynamics simulation capabilities and two-temperature systems.
- Experience in programming, Fortran or C/C++, MPI.

Pre-Employment Drug Test:  External applicant(s) selected for this position will be required to pass a post-offer, pre-employment drug test.

Security Clearance:  None required.


Note:   This is a Career Indefinite position. Lab employees and external candidates may be considered for this position.

About Us

Lawrence Livermore National Laboratory (LLNL), located in the San Francisco Bay Area (East Bay), is a premier applied science laboratory that is part of the National Nuclear Security Administration (NNSA) within the Department of Energy (DOE).  LLNL's mission is strengthening national security by developing and applying cutting-edge science, technology, and engineering that respond with vision, quality, integrity, and technical excellence to scientific issues of national importance.  The Laboratory has a current annual budget of about $1.8 billion, employing approximately 6,500 employees.


LLNL is an affirmative action/ equal opportunity employer. All qualified applicants will receive consideration for employment without regard to race, color, religion, marital status, national origin, ancestry, sex, sexual orientation, gender identity, disability, medical condition, protected veteran status, age, citizenship, or any other characteristic protected by law.

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