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Theoretical Chemistry Jobs (NOW HIRING)

Chemist

Newell, WV ยท On-site

  • Medical

  • Dental

  • Life

  • Retirement

  • PTO

This position provides supports refining operations through practical and theoretical chemistry expertise. This position collaborates across departments and implements solutions that optimize ...

Chemist

Newell, WV

  • Medical

  • Dental

  • Life

  • Retirement

  • PTO

This position provides supports refining operations through practical and theoretical chemistry expertise. This position collaborates across departments and implements solutions that optimize ...

Chemist

Newell, WV ยท On-site

  • Medical

  • Dental

  • Life

  • Retirement

  • PTO

This position provides supports refining operations through practical and theoretical chemistry expertise. This position collaborates across departments and implements solutions that optimize ...

... theoretical chemistry. Research will involve the modeling of molecular materials based on model and ab-initio calculations. Projects will include, but are not limited to, and the topological ...

Own computational chemistry programs across therapeutic modalities, disease targets, and ... theory (DFT) approaches, molecular dynamics (MD) simulations, including both standard MD and ...

Own computational chemistry programs across therapeutic modalities, disease targets, and ... theory (DFT) approaches, molecular dynamics (MD) simulations, including both standard MD and ...

Inorganic Chemistry Tutor

Nashville, TN ยท Remote

$18 - $40/hr

Deep knowledge of atomic structure, periodic trends, coordination chemistry, crystal field theory, molecular orbital theory for inorganics, symmetry and group theory, organometallic chemistry ...

Inorganic Chemistry Tutor

Birmingham, AL ยท Remote

$18 - $40/hr

Deep knowledge of atomic structure, periodic trends, coordination chemistry, crystal field theory, molecular orbital theory for inorganics, symmetry and group theory, organometallic chemistry ...

Inorganic Chemistry Tutor

Wilmington, NC ยท Remote

$18 - $40/hr

Deep knowledge of atomic structure, periodic trends, coordination chemistry, crystal field theory, molecular orbital theory for inorganics, symmetry and group theory, organometallic chemistry ...

Showing results 21-40

Theoretical Chemistry information

See salary details

$20.5K

$44.6K

$63.5K

How much do theoretical chemistry jobs pay per year?

As of Aug 17, 2026, the average yearly pay for theoretical chemistry in the United States is $44,606.00, according to ZipRecruiter salary data. Most workers in this role earn between $28,000.00 and $57,500.00 per year, depending on experience, location, and employer.

What does a theoretical chemist do?

A theoretical chemist uses mathematical models, simulations, and computational techniques to understand chemical structures, reactions, and properties. They develop theories to explain molecular behavior and predict chemical outcomes, often working alongside experimental chemists. Their work has applications in drug design, materials science, and energy research, among other fields.

What are the key skills and qualifications needed to thrive in theoretical chemistry?

To thrive in Theoretical Chemistry, you need a strong background in chemistry, physics, advanced mathematics, and typically a Ph.D. in chemistry or a related field. Experience with computational modeling software (such as Gaussian or VASP), programming languages (like Python or Fortran), and familiarity with high-performance computing environments are crucial. Outstanding analytical thinking, attention to detail, and the ability to communicate complex ideas clearly make candidates stand out. These skills and qualities enable theoretical chemists to develop and interpret sophisticated models, collaborate with experimental teams, and contribute valuable insights to scientific research.

What are some common challenges faced in a theoretical chemistry role?

One common challenge in Theoretical Chemistry is dealing with the high complexity of mathematical models and ensuring that computational simulations accurately reflect real-world chemical processes. Theoretical chemists must stay current with rapidly evolving software and technology while managing large data sets and computational demands. Collaboration with experimental chemists is often required to validate theories and interpret findings, which necessitates strong interdisciplinary communication skills. Additionally, balancing research, publication, and occasional teaching or mentoring responsibilities is typical in academic or research-focused environments.

How much does a theoretical chemist make?

Theoretical chemists typically earn between $60,000 and $120,000 annually, depending on experience, education, and location. Senior roles or those in industry may offer higher salaries, especially with advanced skills in computational modeling and software tools.

How to become a theoretical chemist?

To become a theoretical chemist, one typically needs a bachelor's degree in chemistry, physics, or a related field, followed by a master's or Ph.D. in theoretical or computational chemistry. Developing strong skills in mathematics, programming, and using tools like quantum chemistry software is essential. Gaining research experience through internships or graduate projects is also important for career advancement.
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Infographic showing various Theoretical Chemistry job openings in the United States as of August 2026, with employment types broken down into 1% As Needed, 71% Full Time, 26% Part Time, and 2% Contract. Highlights an 82% Physical, 1% Hybrid, and 17% Remote job distribution, with an average salary of $44,606 per year, or $21.4 per hour.

Theoretical Atomic, Molecular and Optical Sciences (AMOS) Postdoctoral Fellow

CH-Chemical Sciences

Bodega Bay, CA โ€ข On-site

$5.7K - $6.9K/mo

Full-time

This job post hasย expired today.ย Applications are no longer accepted.


Job description

Lawrence Berkeley National Laboratory is hiring a Theoretical Atomic, Molecular and Optical Sciences (AMOS) Postdoctoral Fellow within the Chemical Sciences division. This position will develop theoretical and computational methods for the sophisticated treatment of the interaction of femtosecond and attosecond pulses of UV and X-ray radiation with atoms and molecules. A principal focus of this research is the application and development of ab initio methods for treating the molecular electronic ionization continuum. The holder of this position will apply theoretical methods already developed by the Atomic, Molecular and Optical Sciences (AMOS) theory group to such problems and extend those methods to treat new problems in ultrafast AMO physics. An essential goal of this position is to develop theoretical models and interpretations of attosecond time delays, transient absorption, time-resolved molecular photoionization and other multipulse ultrafast experiments.

We're here for the same mission, to bring science solutions to the world. Join our team and YOU will play a supporting role in our goal to address global challenges! Have a high level of impact and work for an organization associated with 17 Nobel Prizes!

You will:

  • Conduct research in the area of the interaction of femtosecond and attosecond light pulses with molecules.
  • Develop new theoretical approaches to these problems, including the ab initio description of the molecular ionization continuum.
  • Write programs implementing new theoretical methods on massively parallel supercomputers.
  • Collaborate actively with members of the AMOS theory and experimental groups.
  • Prepare manuscripts describing scientific results for publication in scientific journals.

We are looking for:

  • Ph.D. in Physics or Chemistry with a thesis in the area of the theory of the interaction of ultrashort radiation pulses with atoms and molecules including molecular photoionization -- or in a closely related area of theoretical chemistry, theoretical chemical physics, or physics.
  • Strong background in collision theory relevant to molecular photoionization and electron-molecule interactions.
  • Ability to program in modern Fortran and Python (and occasionally in C++) and use AI tools to create and modify code in those languages.
  • Mastery of modern numerical methods used in chemical physics and atomic and molecular physics.ย 
  • Ability to communicate effectively in English with colleagues and coworkers.
  • Good scientific writing skills.

Desired skills/knowledge:

  • Preparation of presentations, both oral and written, on the research.
  • Communicate results in group meetings and participate in professional activities, as appropriate.ย 
  • Ability to program modern massively parallel computers using Message Passing Interface (MPI) and OpenMP, or sufficient computational background to acquire parallel computing skills quickly.
  • Experience in large-scale computer code development.
  • Experience with computational electronic structure methods in Chemistry.

Additional information:

  • Application date: Priority consideration will be given to candidates who apply by June 30, 2026. Applications will be accepted until the job posting is removed.
  • Appointment type: This is a full-time 2 year, postdoctoral appointment with the possibility of renewal based upon satisfactory job performance, continuing availability of funds and ongoing operational needs. You must have no more than two years of paid postdoctoral experience. Salary for Postdoctoral positions depends on years of experience post-degree.
  • Salary range: This position is represented by a union for collective bargaining purposes. The salary range for this position is $5,757 - $6,903 per month. Postdoctoral positions are paid on a step schedule per union contract and salaries will be predetermined based on postdoctoral step rates. Each step represents one full year of completed post-Ph.D. postdoctoral experience.
  • Background check: This position is represented by a union for collective bargaining purposes. This position is subject to a background check. Any convictions will be evaluated to determine if they directly relate to the responsibilities and requirements of the position. Having a conviction history will not automatically disqualify an applicant from being considered for employment.
  • Work modality: Work will be primarily performed at: Lawrence Berkeley National Lab, 1 Cyclotron Road, Berkeley, CA. A REAL ID or other acceptable form of identification is required to access Berkeley Lab sites (for more information click here).

Want to learn more about working at Berkeley Lab? Please visit: careers.lbl.gov

Equal Employment Opportunity Employer: The foundation of Berkeley Lab is our Stewardship Values: Team Science, Service, Trust, Innovation, and Respect; and we strive to build community with these shared values and commitments. Berkeley Lab is an Equal Opportunity Employer. We heartily welcome applications from all who could contribute to the Lab's mission of leading scientific discovery, excellence, and professionalism. In support of our rich global community, all qualified applicants will be considered for employment without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, disability, age, protected veteran status, or other protected categories under State and Federal law.

Misconduct Disclosure Requirement: As a condition of employment, the finalist will be required to disclose if they are subject to any final administrative or judicial decisions within the last seven years determining that they committed any misconduct, are currently being investigated for misconduct, left a position during an investigation for alleged misconduct, or have filed an appeal with a previous employer.