Computational material science * Computational radiation or particle transport * Machine Learning * Statistics * Computer Science Education/Experience : M.S. Degree from an accredited program in ...
Computational material science * Computational radiation or particle transport * Machine Learning * Statistics * Computer Science Education/Experience : M.S. Degree from an accredited program in ...
Sr Research Engineer Aero Thermal Engineer
Atlanta, GA · On-site
$102K - $140K/yr
... in computational simulation, material science, mechanical engineering, electrochemistry, or relevant disciplines to contribute development of high temperature materials, design of hypersonic ...
New
Quick apply
Sr Research Engineer Aero Thermal Engineer
Atlanta, GA · On-site
$102K - $140K/yr
... in computational simulation, material science, mechanical engineering, electrochemistry, or relevant disciplines to contribute development of high temperature materials, design of hypersonic ...
New
Sr Research Engineer Aero Thermal Engineer
Atlanta, GA · On-site
$102K - $140K/yr
... in computational simulation, material science, mechanical engineering, electrochemistry, or relevant disciplines to contribute development of high temperature materials, design of hypersonic ...
New
Quick apply
Sr Research Engineer Aero Thermal Engineer
Atlanta, GA · On-site
$102K - $140K/yr
... in computational simulation, material science, mechanical engineering, electrochemistry, or relevant disciplines to contribute development of high temperature materials, design of hypersonic ...
New
Working at the intersection of lab automation, agentive AI, and computational materials science, this role translates scientific workflows into production-grade software that compresses a discovery ...
Working at the intersection of lab automation, agentive AI, and computational materials science, this role translates scientific workflows into production-grade software that compresses a discovery ...
Master's degree or PhD in aerospace engineering, material science, mechanical engineering, electrochemistry or related engineering disciplines * Previous extensive experience with computational ...
Quick apply
Master's degree or PhD in aerospace engineering, material science, mechanical engineering, electrochemistry or related engineering disciplines * Previous extensive experience with computational ...
Opportunities include conducting research in the following scientific fields: organic/inorganic synthesis, analytical, computational, materials characterization, actinide materials, optical materials ...
Opportunities include conducting research in the following scientific fields: organic/inorganic synthesis, analytical, computational, materials characterization, actinide materials, optical materials ...
Materials Science Division Undergraduate Intern - Fall 2026
Livermore, CA · On-site
$9.8K/wk
Opportunities include conducting research in the following scientific fields: organic/inorganic synthesis, analytical, computational, materials characterization, actinide materials, optical materials ...
Materials Science Division Undergraduate Intern - Fall 2026
Livermore, CA · On-site
$9.8K/wk
Opportunities include conducting research in the following scientific fields: organic/inorganic synthesis, analytical, computational, materials characterization, actinide materials, optical materials ...
Automation Engineer, Materials Research Science
Redmond, WA · On-site
$184K - $257K/yr
Working at the intersection of lab automation, agentive AI, and computational materials science, this role translates scientific workflows into production-grade software that compresses a discovery ...
Automation Engineer, Materials Research Science
Redmond, WA · On-site
$184K - $257K/yr
Working at the intersection of lab automation, agentive AI, and computational materials science, this role translates scientific workflows into production-grade software that compresses a discovery ...
Computational Physicist
San Leandro, CA · On-site
Your work will contribute to advancements in areas such as materials science, energy, aerospace, or ... Develop custom computational tools and optimize existing codes for high-performance computing (HPC)
Quick apply
Computational Physicist
San Leandro, CA · On-site
Your work will contribute to advancements in areas such as materials science, energy, aerospace, or ... Develop custom computational tools and optimize existing codes for high-performance computing (HPC)
Post Doctoral Associate - Xiong Laboratory
Pittsburgh, PA · On-site
$47K - $64K/yr
The research is grounded in computational modeling of materials thermodynamics and diffusion ... The position requires a PhD or equivalent degree in materials science, mechanical engineering, or a ...
New
Post Doctoral Associate - Xiong Laboratory
Pittsburgh, PA · On-site
$47K - $64K/yr
The research is grounded in computational modeling of materials thermodynamics and diffusion ... The position requires a PhD or equivalent degree in materials science, mechanical engineering, or a ...
New
Opportunities include conducting research in the following scientific fields: organic/inorganic synthesis, analytical, computational, materials characterization, actinide materials, optical materials ...
Opportunities include conducting research in the following scientific fields: organic/inorganic synthesis, analytical, computational, materials characterization, actinide materials, optical materials ...
D. in Chemistry, Chemical Engineering, Computational Materials Science, or a closely related discipline * 2-3 years of relevant post-doctoral, industry, or national-laboratory experience applying AI ...
D. in Chemistry, Chemical Engineering, Computational Materials Science, or a closely related discipline * 2-3 years of relevant post-doctoral, industry, or national-laboratory experience applying AI ...
Applied Scientist, Materials Characterization and Simulations, Amazon Center for Quantum Computing
Pasadena, CA · On-site
... material science, physics or equivalent - Expertise in materials characterization techniques - Experience with computational modeling of materials or disordered systems PREFERRED QUALIFICATIONS ...
Applied Scientist, Materials Characterization and Simulations, Amazon Center for Quantum Computing
Pasadena, CA · On-site
... material science, physics or equivalent - Expertise in materials characterization techniques - Experience with computational modeling of materials or disordered systems PREFERRED QUALIFICATIONS ...
D. in Chemistry, Materials Science, Chemical Engineering, Computational Chemistry, Materials Informatics, Physics, Computer Science or a closely related STEM discipline (or MS with additional ...
D. in Chemistry, Materials Science, Chemical Engineering, Computational Chemistry, Materials Informatics, Physics, Computer Science or a closely related STEM discipline (or MS with additional ...
Modeling Scientist
Kennesaw, GA · On-site
... and computational material scientists. * Establish and lead supporting partnerships with ... PhD in metallurgy, metallurgical engineering, materials science/engineering or mechanical ...
Modeling Scientist
Kennesaw, GA · On-site
... and computational material scientists. * Establish and lead supporting partnerships with ... PhD in metallurgy, metallurgical engineering, materials science/engineering or mechanical ...
Modeling Scientist
Kennesaw, GA · On-site
... and computational material scientists. * Establish and lead supporting partnerships with ... PhD in metallurgy, metallurgical engineering, materials science/engineering or mechanical ...
Modeling Scientist
Kennesaw, GA · On-site
... and computational material scientists. * Establish and lead supporting partnerships with ... PhD in metallurgy, metallurgical engineering, materials science/engineering or mechanical ...
D.inphysical chemistry, inorganic chemistry, computational materials science, chemical engineering, or a related field, along with3-6 years of postdoctoral research experience * Comprehensive ...
D.inphysical chemistry, inorganic chemistry, computational materials science, chemical engineering, or a related field, along with3-6 years of postdoctoral research experience * Comprehensive ...
XCP-2 staff span a wide range of computational physics modeling disciplines including numerical fluid and solid mechanics, materials science, radiation hydrodynamics, plasma physics, turbulence ...
XCP-2 staff span a wide range of computational physics modeling disciplines including numerical fluid and solid mechanics, materials science, radiation hydrodynamics, plasma physics, turbulence ...
D.inphysical chemistry, inorganic chemistry, computational materials science, chemical engineering, or a related field, along with3-6 years of postdoctoral research experience * Comprehensive ...
D.inphysical chemistry, inorganic chemistry, computational materials science, chemical engineering, or a related field, along with3-6 years of postdoctoral research experience * Comprehensive ...
... and computational material scientists. * Establish and lead supporting partnerships with ... PhD in metallurgy, metallurgical engineering, materials science/engineering or mechanical ...
... and computational material scientists. * Establish and lead supporting partnerships with ... PhD in metallurgy, metallurgical engineering, materials science/engineering or mechanical ...
Computational Material Science information
See salary details
$22.5K - $34.5K
12% of jobs
$42.8K is the 25th percentile. Wages below this are outliers.
$34.5K - $46.5K
19% of jobs
$46.5K - $58.5K
13% of jobs
The median wage is $64.5K / yr.
$58.5K - $70.5K
13% of jobs
$70.5K - $82.5K
11% of jobs
$82.5K - $94.5K
5% of jobs
$97.5K is the 75th percentile. Wages above this are outliers.
$94.5K - $106.5K
11% of jobs
$106.5K - $118.5K
4% of jobs
$118.5K - $130.5K
7% of jobs
$130.5K - $142.5K
3% of jobs
$142.5K - $154.5K
2% of jobs
$22.5K
$77.4K
$154.5K
How much do computational material science jobs pay per year?
What is a Computational Material Science job?
A Computational Material Science job involves using computer simulations, modeling techniques, and data analysis to study and predict the properties of materials. Professionals in this field leverage methods like density functional theory (DFT), molecular dynamics, and machine learning to design new materials and optimize existing ones for various applications, including electronics, energy, and manufacturing. They often work in academia, research institutions, or industries such as aerospace, semiconductors, and pharmaceuticals. The role requires expertise in materials science, physics, chemistry, and programming, typically using tools like Python, MATLAB, or specialized simulation software.
What are the key skills and qualifications needed to thrive in the Computational Material Science position, and why are they important?
To thrive in Computational Material Science, you need a strong background in materials science, physics, and computational modeling, usually supported by an advanced degree such as a Master's or Ph.D. Proficiency with simulation software (like VASP, LAMMPS, or Quantum ESPRESSO), high-performance computing environments, and programming languages like Python or C++ is often required. Strong analytical thinking, problem-solving ability, and effective teamwork and communication skills help set professionals apart in this field. These skills are essential for designing, analyzing, and optimizing materials using computational techniques, often as part of collaborative, interdisciplinary research teams.
What are some typical daily tasks for a Computational Material Science professional?
Daily tasks for a Computational Material Science professional often include developing and running computer simulations to investigate material properties, analyzing data from these simulations, and collaborating with experimental scientists to compare computational predictions with laboratory results. You may spend significant time programming, writing reports, and presenting your findings to colleagues or industry partners. You'll typically work within a multidisciplinary team, where clear communication and project coordination are crucial. The balance between independent computational work and collaborative meetings helps ensure innovative solutions to complex material challenges.

Computing and Artificial Intelligence (CAI) Division Post Master's Intern
Los Alamos, NM
$13.75 - $18.25/hr
Internship
Medical, Dental, Vision, Life, Retirement, PTO
Re-posted 16 days ago
Los Alamos National Laboratory rating
9.2
Based on 33 frontline employees who took The Breakroom Quiz
8th of 105 rated laboratories
Job description
CAI Division is seeking recent graduates looking for a challenging post graduate internship at the Post-Master's level. As a post graduate intern, you will be provided with a mentor, a challenging project, and an opportunity to present your work and progress to colleagues. The projects will vary depending on your skills and interests and the Laboratory's current needs.
Computing and Artificial Intelligence (CAI) Division is a problem-solving organization that works in four principal LANL mission areas:
- Nuclear Weapons Program
- Threat Reduction and Department of Homeland Security programs
- Basic science and technology research programs
- Institutional Computing Program
What You Need
Minimum Job Requirements:
The successful candidate should have knowledge and experience in an area that is in the technical scope of CAI Division.
- Computational earth science
- Numerical analysis
- Plasma physics
- Astrophysics
- Computational physics
- Computational material science
- Computational radiation or particle transport
- Machine Learning
- Statistics
- Computer Science
Desired Qualifications:
- Strong leadership skills
Work Location: The work location for this position is onsite and located in Los Alamos, NM. All work locations are at the discretion of management.
Note to Applicants:
- A resume and current transcript, showing the above requirements, is required
- Applicants must submit a comprehensive cover letter (2 pages or less) that addresses the job requirements of the position, if applicable the desired skills, and education eligibility.
- Your letter or resume should provide contact information for 2-4 references who are familiar with your capabilities related to this job.
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 Northern New Mexico, Los Alamos National Laboratory (LANL) is a multidisciplinary research institution engaged in strategic science on behalf of national security. LANL enhances national security by ensuring the safety and reliability of the U.S. nuclear stockpile, developing technologies to reduce threats from weapons of mass destruction, and solving problems related to energy, environment, infrastructure, health, and global security concerns. 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 childbirth 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)
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.
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.
Internal Applicants: Regular appointment employees who have served the required period of continuous service in their current position are eligible to apply for posted jobs throughout the Laboratory. If an employee has not served the required period of continuous service, they may only apply for Laboratory jobs with the documented approval of their Division Leader. Please refer to Policy Policy P701 for applicant eligibility requirements.
Equal Opportunity: Los Alamos National Laboratory is an equal opportunity employer. All employment practices are based on qualification and merit, without regard to protected categories such as 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 applicable federal, state and local 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 a disability accommodation, email applyhelp@lanl.gov or call (505) 664-6947, opt. 3.
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- Select the Click Here button if you have been employed with the Lab or received insurance coverage.
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- 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:
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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.
What Los Alamos National Laboratory employees say
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About Los Alamos National Laboratory
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Industry
Scientific research and development services
Company size
5,001 - 10,000 Employees
Headquarters location
Los Alamos, NM, US
Year founded
1943