Lawrence Livermore National Laboratory

First-Principles Computational Materials Scientist

Location:  Livermore, CA
Category:  Science & Engineering
Organization:  Physical and Life Sciences
Posting Requirement:  External w/ US Citizenship
Job ID: 105352
Job Code: Science & Engineering MTS 3 (SES.3)
Date Posted: May 15 2019

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Join us and make YOUR mark on the World!

Come join Lawrence Livermore National Laboratory (LLNL) where we apply science and technology to make the world a safer place; now one of 2019 Best Places to Work by Glassdoor!

We have an opening for a Computational Materials Scientist to work on equation of state and other technically challenging problems involving molecular dynamics simulations and related atomistic simulations. You will travel as necessary to interact with sponsors and customers. The candidate will work in multidisciplinary teams across divisions at LLNL. This position is in the Quantum Simulations Group of the Materials Science Division. 

Essential Duties 
- Perform atomistic simulations of complex materials systems, possibly containing multiple phases.
- Develop and apply advanced analysis methodologies on trajectory data to extract relevant observables.
- Collaborate with computational and experimental scientists in a multidisciplinary team environment to accomplish research goals.
- Prepare written analyses and verbal briefings that capture and communicate research results. 
- Publish research results in peer-reviewed scientific or technical journals, project reports, and present results at external conferences, seminars, and/or technical meetings. 
- Contribute to and actively participate in the conception, design and execution of research to address defined problems.
- Pursue independent but complementary research interests and interact with a broad spectrum of researchers within and outside the Laboratory.
- Perform other duties as assigned.

- PhD in Materials Science, Chemistry, Physics, or a related field, or the equivalent combination of education and related experience.
- Significant experience in large-scale density functional theory-based ab initio molecular dynamics simulations of complex material systems.
- Advanced knowledge of electronic structure methods, including density functional theory and beyond, and associated approximations.
- Experience compiling and running complex code on large-scale high performance computing platforms.
- Ability as an innovative theorist with a broad range of experience in atomistic simulation codes, data acquisition, and data analysis.¿
- Advanced verbal and written communication skills as reflected in effective presentations at seminars, meetings and/or teaching lectures, and a strong peer-reviewed publication record.
- Initiative and interpersonal skills with desire and ability to work in a collaborative, multidisciplinary team environment.
- Ability to travel as necessary to interact with sponsors and customers.
Desired Qualifications 
- Experience with tight-binding and/or semiclassical approximations of electronic structure methods and dynamics, and/or application of machine learning and data science techniques to data analysis.
- Knowledge of equation of state methodologies.
- Proficiency in C/C++, FORTRAN, and/or Python coding.

Pre-Employment Drug Test:  External applicant(s) selected for this position will be required to 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.

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. In addition, all L or Q cleared employees are subject to random drug testing.  Q-level clearance requires U.S. citizenship.  If you hold multiple citizenships (U.S. and another country), you may be required to renounce your non-U.S. citizenship before a DOE L or Q clearance will be processed/granted.

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 $2.1 billion, employing approximately 6,800 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.