Computational Chemist - Research Scientist
Computational Chemist - Research Scientist
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1 Vacancy
Job Description
We have an opening for a Computational Chemist to conduct research in small molecule drug design and development specifically with expertise in hit and lead optimization software development molecular dynamics simulations and analysis. You will be an integral member of an interdisciplinary team requiring regular communication. You will be responsible for working with industrial partners to computationally design and develop all aspects of small molecule compounds to optimize potency selectivity and pharmacokinetics by using any existing computational methods or creating new software algorithms and writing code and creating innovative analysis tools. You will work with a team of computational chemists physicists medicinal chemists and experimental biologist to design patentable drug candidates and create a novel computational capabilities to accelerate drug discovery. This position is in the Biochemical and Biophysical Systems group of the Biosciences and Biotechnology Division.
Depending on your assignment this position may offer a hybrid schedule blending in-person and virtual presence. You may have the flexibility to work from home one or more days per week.
This position will be filled at either level based on knowledge and related experience as assessed by the hiring team. Additional job responsibilities (outlined below) will be assigned if hired at the higher level.
You will
- Conduct advanced independent research working with sponsors to design and develop small molecule drug candidates.
- Contribute to the software development for accelerating drug discovery.
- Perform and automate workflows on high performance computing for drug discovery.
- Develop new analytics to analyze results from complex simulations.
- Prepare complex and detailed weekly progress reports to support project needs and deadlines. Prepare complex written analyses and verbal briefings and present research results at corporate meetings.
- Develop new and innovative research methods relevant to the needs of Laboratory programs and/or external funding agencies and Interact with senior project staff and management to influence programmatic decisions.
- Write proposals secure funding and establish independent research projects.
- Perform other duties as assigned.
Additional job responsibilities at the SES.4 level
- Develop and build collaborations with external industrial partners to advance small molecule drug program.
- Evaluate design and develop new methods and protocols along the entire drug design pathway
- Evaluate patent space and develop new research programs around the existing patent space.
Qualifications :
- Must be eligible to access the Laboratory in compliance with Section 3112 of the National Defense Authorization Act (NDAA). See Additional Information section below for details.
- PhD in computer science computational chemistry computational physics or computational biology or equivalent combination of education and related experience.
- Significant experience in medical countermeasures against infectious disease.
- Industrial experience to design and develop small molecule drug candidates leading to IND files including leading technical teams.
- Significant experience at the postdoctoral or higher level in the protein dynamics screening analytics hit and lead optimization and DMPK property predictions.
- Ability to work independently on defined research projects as well as a member of a team.
- Advanced computer skills including programming experience with perl python or C in a UNIX environment.
- Advanced ability to develop independent research projects as demonstrated through publication of peer-reviewed manuscripts in the field of molecular modeling and simulations.
- Ability to travel as necessary to interact with sponsors customers and collaborators.
- Advanced written verbal communication and interpersonal skills necessary to deliver presentations prepare written reports and to interact with a diverse set of scientists engineers and other technical and administrative staff.
Additional qualifications at the SES.4 level
Expert knowledge in the pharmaceutical industry.
Expert knowledge and experience in designing drug candidates that have progressed to IND filing and clinical trial.
Qualifications We Desire
- Experience in collaborating with experimental biologists.
- Experience in machine learning.
- Experience in automated analysis and data visualization.
Additional Information :
#LI-Hybrid
Position Information
This is a Flexible Term appointment which is for a definite period not to exceed six years. If final candidate is a Career Indefinite employee Career Indefinite status may be maintained (should funding allow).
Why Lawrence Livermore National Laboratory
- Included in 2025 Best Places to Work by Glassdoor!
- Flexible Benefits Package
- 401(k)
- Relocation Assistance
- Education Reimbursement Program
- Flexible schedules (*depending on project needs)
- Our values - visit 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.)
National Defense Authorization Act (NDAA)
The 2025 National Defense Authorization Act (NDAA) Section 3112 generally prohibits citizens of China Russia Iran and North Korea without dual US citizenship or legal permanent residence from accessing specific non-public areas of national security or nuclear weapons facilities. The restrictions of NDAA Section 3112 apply to this position. To be qualified for this position Candidates must be eligible to access the Laboratory in compliance with Section 3112.
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.
Wireless and Medical Devices
Per the Department of Energy (DOE) Lawrence Livermore National Laboratory must meet certain restrictions with the use and/or possession of mobile devices in Limited Areas. Depending on your job duties you may be required to work in a Limited Area where you are not permitted to have a personal and/or laboratory mobile device in your possession. This includes but not limited to cell phones tablets fitness devices wireless headphones and other Bluetooth/wireless enabled devices.
If you use a medical device which pairs with a mobile device you must still follow the rules concerning the mobile device in individual sections within Limited Areas. Sensitive Compartmented Information Facilities require separate approval. Hearing aids without wireless capabilities or wireless that has been disabled are allowed in Limited Areas Secure Space and Transit/Buffer Space within buildings.
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Remote Work :
Yes
Employment Type :
Full-time
Employment Type
Remote
