Lawrence Livermore National Laboratory

Postdoctoral Research Staff Member - Multiscale Modeling, Nanofluidics

Location:  Livermore, CA
Category:  Post Docs
Organization:  Physical and Life Sciences
Posting Requirement:  External Posting
Job ID: 104592
Job Code: Post-Dr Research Staff 1 (PDS.1)
Date Posted: November 27 2018

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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 to work in the area of multi-scale modeling of nanofluidics. You will perform first-principles and classical molecular dynamics simulations of aqueous solutions confined in carbon nanotube porins (a novel class of biomimetic nanofluidic channels that mimic the structure of biological ion channels and have exceptional transport characteristics), elucidating structure-composition-property relationships, and work closely with a multidisciplinary team to develop comprehensive understanding of the structure and transport properties of the confined solutions. This position is in the Quantum Simulations group of the Materials Science Division.
Essential Duties
- Conduct classical and ab initio molecular dynamics simulations of aqueous solutions and aqueous interfaces in nanopores.
- Compute free energies and kinetic barriers for governing interfacial chemical reactions and molecular transport.
- Develop force-fields and coarse-grained potentials for assessing molecular transport.
- Characterize electrochemical properties of aqueous interfaces from simulations.
- 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 scientists internally and externally to the Laboratory.
- Collaborate with scientists in a multidisciplinary team environment to accomplish research goals.
- 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.

- Recent PhD in Chemistry, Physics, Materials Science, Chemical Engineering or a related field.
- Experience in one or more of the following areas: ab initio molecular dynamics simulations, classical molecular dynamics simulations, simulations of aqueous solutions and solid/liquid interfaces.
- Experience in density functional theory and related quantum mechanical methods.
- Experience using a broad range of simulation tools including molecular dynamics codes, data acquisition and analysis, and computer coding (e.g., Python, FORTRAN, C++, MATLAB).
- Ability to develop independent research projects through publication of peer-reviewed literature.
- Proficient verbal and written communication skills as reflected in effective presentations at seminars, meetings and/or teaching lectures.
- 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 performing large-scale ab initio simulations on high-performance computing systems, including taking advantage of massive parallelism on modern HPC architectures.
- Experience with free energy sampling methods and simulations of chemical reactions in aqueous environments.
- Experience developing classical force fields and multiscale methods.

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:  None required.


Note:   This is a two-year Postdoctoral appointment with the possibility of extension to a maximum of three years.  Eligible candidates are recent PhDs within five years of the month of the degree award at time of hire date.

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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