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Computational Chemist - Postdoctoral Researcher

Entry Level | Full-time
Postdoctoral/Fellowship | livermore, CA | 02/05/2022

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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 essential to innovation and creativity for continued success of the Laboratory’s mission.

Job Description

NOTE: This is a two-year Postdoctoral appointment with the possibility of extension to a maximum of three years.

We have an opening for a highly motivated Computational Chemist - Postdoctoral Researcher to conduct research in enzyme catalysis and small molecule drug discovery with expertise in molecular modeling and simulations of biological systems, free energy calculations, and quantum mechanical calculations. You will be responsible for investigating the catalysis mechanism of a hydrolase protein and searching for hit compounds or designing compounds to improve the catalysis. You will present your work regularly and publish your research and findings, which includes occasional domestic travel. This position is in the Biochemical and Biophysical Systems group of the Biosciences and Biotechnology Division.

In this role you will:

  • Conduct advanced independent research to investigate enzyme catalysis mechanism and design small molecule to improve the catalysis.
  • Perform and automate high throughput molecular dynamics simulations and free energy calculations to predict small molecular binding.
  • Develop new analytics to analyze results from complex biology experiments and simulations.
  • Work with external partners (Universities, Industry, other National Laboratories) to advance computational biology simulation efforts.
  • Prepare complex and detailed weekly progress reports to support project needs and deadlines. Prepare complex written analyses and verbal briefings, and present research results to sponsors.
  • Develop new and innovative research methods relevant to the needs of Laboratory programs and/or external funding agencies.
  • Contribute to proposals and statements of work.
  • Publish research results in peer-reviewed scientific or technical journals and present results at external conferences, seminars and/or technical meetings, which require travel.
  • Perform other duties as assigned.

Qualifications

  • PhD in computer science, computational biology, computational physics or computational chemistry.
  • Advanced knowledge and significant experience in metal ions force field development, metalloenzyme modeling, protein-ligand binding, molecular dynamics simulations, and free energy calculations.
  • Significant experience in quantum mechanical calculation, hybrid quantum mechanics/ molecular mechanics (QM/MM) simulations, and enzyme catalysis.
  • Ability to work independently on defined research projects, as well as a member of a team with a diverse set of scientists, engineers, and other technical and administrative staff.
  • Advanced computer skills including programming experience with perl, python, or C++, preferably in a UNIX environment.
  • Ability to develop independent research projects as demonstrated through publication of peer-reviewed manuscripts.
  • Ability to travel, as necessary, to interact with collaborators.

Qualifications We Desire

  • Experience in machine learning.
  • Experience in collaborating with experimental biologists.
  • Experience in automated analysis and data visualization.

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.  Eligible candidates are those who have been awarded a PhD at time of hire date.

Why Lawrence Livermore National Laboratory?

  • Included in 2022 Best Places to Work by Glassdoor!
  • Work for a premier innovative national Laboratory
  • Comprehensive Benefits Package
  • Flexible schedules (*depending on project needs)
  • Collaborative, creative, inclusive, and fun team environment

Learn more about our company, selection process, position types and security clearances by visiting our Career site

COVID-19 Vaccination Mandate

LLNL demonstrates its commitment to public safety by requiring that all new Laboratory employees be immunized against COVID-19 unless granted an accommodation under applicable state or federal law. This requirement will apply to all new hires including those who will be working on site, as well as those who will be teleworking.

Security Clearance

None required.  However, if your assignment is longer than 179 days cumulatively within a calendar year, you must go through the Personal Identity Verification process.  This process includes completing an online background investigation form and receiving approval of the background check.  (This process does not apply to foreign nationals.)  For additional information, please see DOE Order 472.2

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.

Pre-Placement Medical Exam

A job related pre-placement medical examination may be required.

Equal Employment Opportunity

LLNL is an affirmative action and equal opportunity employer that values and hires a diverse workforce. 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, pregnancy, protected veteran status, age, citizenship, or any other characteristic protected by applicable laws.

If you need assistance and/or a reasonable accommodation during the application or the recruiting process, please submit a request via our online form

California Privacy Notice

The California Consumer Privacy Act (CCPA) grants privacy rights to all California residents. The law also entitles job applicants, employees, and non-employee workers to be notified of what personal information LLNL collects and for what purpose. The Employee Privacy Notice can be accessed here.

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