1

Computational Quantum Chemistry Jobs (NOW HIRING)

Computational Senior Engineer

Fremont, CA · On-site

$119K - $261K/yr

... datasets from quantum chemistry and density functional theory (DFT) calculations to support ... D in Computational Chemistry, Chemistry, Chemical Engineering or Materials Science (or equivalent ...

New

Showing results 21-40

Computational Quantum Chemistry information

See salary details

$12

$20

$31

How much do computational quantum chemistry jobs pay per hour?

As of Sep 2, 2026, the average hourly pay for computational quantum chemistry in the United States is $20.85, according to ZipRecruiter salary data. Most workers in this role earn between $17.55 and $23.32 per hour, depending on experience, location, and employer.

What is computational quantum chemistry?

Computational quantum chemistry is a branch of chemistry that uses computer simulations to solve quantum mechanical equations for molecules and materials. By employing mathematical models and computational algorithms, scientists can predict molecular structures, energies, spectra, and reactivity without needing to perform physical experiments. This field plays a crucial role in understanding chemical processes at the atomic level and accelerating discoveries in drug design, materials science, and nanotechnology.

What are the key skills and qualifications needed to thrive as a computational quantum chemist?

To excel as a Computational Quantum Chemist, you need a strong background in quantum mechanics, theoretical chemistry, advanced mathematics, and typically a Ph.D. in chemistry or a related field. Proficiency with quantum chemistry software (such as Gaussian, ORCA, or Q-Chem), programming languages (like Python or Fortran), and high-performance computing environments is important. Strong problem-solving skills, critical thinking, and the ability to communicate complex concepts clearly are highly valued soft skills. These competencies enable accurate modeling of molecular systems, effective collaboration with multidisciplinary teams, and impactful contributions to scientific research.

What are some typical challenges faced by professionals in computational quantum chemistry, and how can they be addressed?

Professionals in computational quantum chemistry often encounter challenges such as balancing computational resource limitations with the need for high-accuracy simulations, managing large and complex datasets, and staying up to date with rapidly evolving software and algorithms. These challenges can be addressed by collaborating closely with interdisciplinary teams, leveraging high-performance computing resources, and participating in ongoing training or workshops. Additionally, regular communication with experimental chemists helps ensure that computational results are relevant and actionable.

What is the difference between Computational Quantum Chemistry vs Computational Chemist?

AspectComputational Quantum ChemistryComputational Chemist
Required CredentialsAdvanced degrees in chemistry, physics, or related fields; knowledge of quantum mechanicsSimilar educational background; often includes programming and chemistry expertise
Work EnvironmentResearch labs, academia, industry; focus on theoretical modelingResearch and development settings; practical application of simulations
Industry UsagePrimarily in chemical research, pharmaceuticals, materials scienceBroader industry roles including product development, materials, and pharmaceuticals

Computational Quantum Chemistry specializes in applying quantum mechanics to model molecular systems, while Computational Chemist covers a broader range of computational techniques in chemistry. Both roles require similar educational backgrounds and often work in research environments, but their focus areas differ—one on fundamental quantum calculations, the other on practical applications.

More about Computational Quantum Chemistry jobs

What states have the most Computational Quantum Chemistry jobs?

States with the most job openings for Computational Quantum Chemistry jobs include:

Infographic showing various Computational Quantum Chemistry job openings in the United States as of August 2026, with employment types broken down into 1% As Needed, 71% Full Time, 25% Part Time, 1% Temporary, and 2% Contract. Highlights an 87% Physical, 1% Hybrid, and 12% Remote job distribution, with an average salary of $43,372 per year, or $20.9 per hour.

Postdoctoral Researcher in Quantum Computing for Quantum Scattering in Plasmas

Los Alamos National Laboratory

Los Alamos, NM • On-site

$97K/yr

Full-time

Medical, Dental, Vision, Life, Retirement, PTO

Re-posted 20 days ago


Los Alamos National Laboratory rating

9.2

Company rating: 9.2 out of 10

Based on 33 frontline employees who took The Breakroom Quiz

8th of 120 rated laboratories


Job description

Description
Job Title Postdoctoral Researcher in Quantum Computing for Quantum Scattering in Plasmas
Location Los Alamos, NM, US
Organization Name Applied Mathematics And Plasma Physics/T-5
Minimum Salary
Maximum Salary
What You Will Do
We are looking for candidates to join our team in Los Alamos National Laboratory's Theoretical Division (T-Division). T-Division provides a unique and engaging environment that fosters multi-disciplinary collaborations to support the laboratory's strategic basic research and national security missions. The Applied Mathematics and Plasma Physics (T-5) group within T-Division conducts diverse research across a variety of topics including fusion science, space plasma science, astrophysics, numerical analysis, machine learning, computational imaging, optimization, artificial intelligence, environmental sciences, and the modeling of critical infrastructure (gas pipelines and electrical grids). These application areas are tied together by research in novel algorithms and numerical methods.
The focus of the project is to develop quantum computing algorithms for quantum scattering in atomic and molecular systems that are expected in a fusion energy system, and demonstrate the schemes in current quantum computers. Candidates with background in (1) quantum scattering theory and computation, particularly in atomic and molecular physics, and quantum chemistry; and/or (2) quantum computing, are preferred. Fusion energy science background is desirable but not required. The selected candidates are expected to work with a team of fusion energy scientists, atomic physicists, and quantum computing scientists. The initial appointment is for two years, with a possible third year extension depending on performance and funding availability.
What You Need
Minimum Job Requirements:
  • Demonstrated expertise in one or more areas of quantum computing, atomic/molecular physics, quantum chemistry, and quantum scattering broadly defined.
  • Demonstrated ability to work effectively in a collaborative and multi-disciplinary scientific environment.
  • A record of publications and presentations in one or more of the following areas: applied mathematics, computational physics, plasma physics, or fusion science.

Education/Experience : Completion of a Ph.D. in STEM field within the last five years or expected completion within the current academic year.
Desired Qualifications:
Technical Knowledge:
  • Quantum scattering theory and computation, particularly in atomic and molecular physics, and quantum chemistry
  • Quantum computing

Technical Communication :
Written and oral technical communication skills as evidenced by peer-reviewed journal publications and/or presentations at professional conferences.
Collaboration:
Experience working as a productive member of a team, including the demonstrated ability to develop solutions for complex problems while effectively networking with peers
Work Location: The work location for this position is located in Los Alamos, NM.
Note to Applicants:
In addition to applying online, please send a cover letter and CV (including the contact information of three references) to Xianzhu Tang at xtang@lanl.gov. When applying on-line, please include the following files with your application: a CV (please include month/year of PhD) and a detailed cover letter describing the candidate's interest and qualifications in this research area.
Fellowship Opportunities: Candidates may be considered for a Director's Fellowship, CNLS Fellowship, Nicholas C. Metropolis Fellowship, Richard Feynman, Robert Oppenheimer Fellowsip, or Darleane Christian Hoffman Fellowship. For the named fellowship, the research scope can be broadened to include any topic of mutual interest, for example, in inertial confinement fusion, laser-plasma interaction, space and astrophysical plasmas, and computational methods.
Postdoctoral positions are for 2 years, with a potential for a renewal for a third year.
Minimum salary for a postdoctoral researcher is $97,000 and can increase with post-PhD experience and fellowships.
Due to federal restrictions contained in the current National Defense Authorization Act, citizens of the People's Republic of China, the Islamic Republic of Iran, the Democratic People's Republic of North Korea, and the Russian Federation, who are not Lawful Permanent Residents ("green card" holders) are prohibited from accessing facilities that support the mission, functions, and operations of national security laboratories and nuclear weapons production facilities, which includes Los Alamos National Laboratory.
Where You Will Work
Located in beautiful northern New Mexico, Los Alamos National Laboratory (LANL) is a multidisciplinary research institution engaged in strategic science on behalf of national security. Our generous benefits package includes:
  • PPO or High Deductible medical insurance with the same large nationwide network
  • Dental and vision insurance
  • Free basic life and disability insurance
  • Paid maternity and parental leave
  • Award-winning 401(k) (6% matching plus 3.5% annually)
  • Learning opportunities and tuition assistance
  • Flexible schedules and time off (PTO and holidays)
  • Onsite gyms and wellness programs
  • Extensive relocation packages (outside a 50 mile radius)

Additional Details
Directive 206.2 - Employment with Triad requires a favorable decision by NNSA indicating employee is suitable under NNSA Supplemental Directive 206.2 . Please note that this requirement applies only to citizens of the United States. Foreign nationals are subject to a similar requirement under DOE Order 142.3A.
*Eligibility requirements: To obtain a clearance, an individual must be at least 18 years of age; U.S. citizenship is required except in very limited circumstances. See DOE Order 472.2 for additional information.
No Clearance: Position does not require a security clearance. Selected candidates will be subject to drug testing and other pre-employment background checks.
New-Employment Drug Test: The Laboratory requires successful applicants to complete a new-employment drug test and maintains a substance abuse policy that includes random drug testing. Although New Mexico and other states have legalized the use of marijuana, use and possession of marijuana remain illegal under federal law. A positive drug test for marijuana will result in termination of employment, even if the use was pre-offer.
Equal Opportunity: Los Alamos National Laboratory is an equal opportunity employer and supports a diverse and inclusive workforce. All employment practices are based on qualification and merit, without regard to race, color, national origin, ancestry, religion, age, sex, gender identity, sexual orientation, marital status or spousal affiliation, physical or mental disability, medical conditions, pregnancy, status as a protected veteran, genetic information, or citizenship within the limits imposed by federal laws and regulations. The Laboratory is also committed to making our workplace accessible to individuals with disabilities and will provide reasonable accommodations, upon request, for individuals to participate in the application and hiring process. To request such an accommodation, please send an email to applyhelp@lanl.gov or call 1-505-664-6947 option 2 and then option 3.
Instructions on How to Activate/Create a LANL Jobs Account:
Follow the instructions below if you have ever had an employee Z number, been a contractor, or received Los Alamos Lab insurance coverage to activate your account:
  • Select the Click Here button if you have been employed with the Lab or received insurance coverage .
  • Please enter only your first and last name and current email address (an email with your validation code will be sent to you) to activate the account currently in our system.
  • Enter your validation code as described in the email you receive and complete the 3-page registration form. Your account is now active, and you can apply for jobs or save to your basket. Important : Enter the validation code within 15 days to activate your account or your account will be deactivated

Follow the instructions below if you if you have never been employed with the Lab or received insurance coverage to create an account:
  • Select the Register button if you have never been employed with the Lab or received insurance coverage to Create an Account.
  • From here, you will establish an account with username and password

How to Apply: How to Apply: Login to Your Account to Complete the Application Process
Click the Vacancy Name number (in blue) to view any job's details.
  • Click Apply or Add to Basket to apply later. Tip : To apply for a job or save your basket, you must have a LANL jobs account.
If you experience any technical issues, please email applyhelp@lanl.gov for assistance.
Employment Status Full Time
Appointment Type Postdoc
Postdoc
Contact Details
Contact Name
Email
Work Telephone

What Los Alamos National Laboratory employees say

Pay

Benefits

Hours and flexibility

Workplace

Get the full story on Breakroom