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Density Functional Theory Scientist Jobs (NOW HIRING)

Built on an integrated platform of high-energy-density physics and pulsed power, liquid metals and ... About the opportunity As a Senior/Principal Scientist (Theory), you'll play a critical role in ...

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$151K

How much do density functional theory scientist jobs pay per year?

As of Aug 21, 2026, the average yearly pay for density functional theory scientist in the United States is $81,521.00, according to ZipRecruiter salary data. Most workers in this role earn between $59,000.00 and $99,000.00 per year, depending on experience, location, and employer.

What is a density functional theory scientist?

A Density Functional Theory (DFT) Scientist conducts computational research using quantum mechanical simulations to study the electronic structure of materials and molecules. They develop, implement, and apply DFT methods to solve problems in physics, chemistry, and materials science. Their work often involves writing code, analyzing simulation data, and collaborating with experimental researchers to explain or predict material properties. DFT Scientists are commonly employed in academia, national laboratories, and industries such as semiconductors, energy storage, and pharmaceuticals.

What does a density functional theory scientist do?

A typical workday for a Density Functional Theory Scientist involves setting up and running computational simulations, analyzing electronic structure data, and reporting findings to colleagues or clients. You'll often spend time coding, using specialized DFT software, and preparing presentations or publications. Collaboration is common, as you may work closely with experimentalists, engineers, or other theorists to interpret results or design new research directions. The role balances independent problem-solving with teamwork, offering a dynamic environment that encourages continual learning and innovation.

What are the key skills and qualifications needed to thrive as a density functional theory scientist?

A Density Functional Theory Scientist typically holds an advanced degree in physics, chemistry, materials science, or a related field, with strong expertise in quantum mechanics and computational modeling. Proficiency with computational chemistry software (such as VASP, Quantum ESPRESSO, or Gaussian), high-performance computing environments, and programming languages like Python or Fortran is essential. Excellent problem-solving, teamwork, and communication skills help these scientists interpret results and collaborate effectively with multidisciplinary teams. These combined abilities are crucial for conducting accurate simulations, advancing scientific knowledge, and contributing to innovative materials or molecular research.

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Infographic showing various Density Functional Theory Scientist job openings in the United States as of August 2026, with employment types broken down into 1% As Needed, 89% Full Time, 6% Part Time, and 4% Contract. Highlights an 85% Physical, 5% Hybrid, and 10% Remote job distribution, with an average salary of $81,521 per year, or $39.2 per hour.

Senior Computational Chemistry Engineer

LAM RESEARCH Corporation

Fremont, CA • On-site

$119 - $261/hr

Other

Re-posted 5 days ago


Lam Research rating

8.2

Company rating: 8.2 out of 10

Based on 46 frontline employees who took The Breakroom Quiz

131st of 491 rated machine equipment manufacturers


Job description

Requisition ID201506Date posted07/16/2026Work Location ModelOn-site FlexWork LocationFremont-CAWork CountryUnited StatesThe group you’ll be a part ofIn the Semiverse Solutions Team, we are dedicated to excellence in the virtual experimentation of Lam’s etch and deposition processes. We drive innovation to ensure our cutting-edge solutions are helping to solve the biggest challenges in the semiconductor industry.The impact you’ll makeAs a Senior Computational Chemistry Engineer at Lam, you will operate on cutting-edge technology, harnessing atomic precision, materials science, and surface engineering to push technical boundaries. Your role involves identifying new and advanced processes and chemical formulations. Your expertise and knowledge will play a crucial role in our customers’ success, making an impact on next generation semiconductor technologies.What you’ll doPerform first-principles calculations and atomistic modeling to investigate reaction mechanisms, surface chemistry, plasma-surface interactions, and materials behaviorGenerate high fidelity training datasets from quantum chemistry and density functional theory (DFT) calculations to support development of next-generation simulation capabilitiesUtilize computational chemistry learning to support process engineering research & development, and process/chamber/feature simulationsPlan projects involving definition and selection of new concepts and approaches for simulation evaluation workflowsCompile and evaluate modeling data to provide guidance on chemistries and materials, as well as appropriate limits and variables for process specificationsCommunicate chemistry and process insights clearly through presentations and technical discussions with stakeholdersMinimum QualificationsPh.D. in Computational Chemistry, Chemistry, Chemical Engineering or Materials Science (or equivalent)At least 3-5 years of industry experience, post Ph.D.Experience using DFT software (e.g. Gaussian)Experience with frontier molecular orbital analysis and full reaction pathway studiesExperience applying quantum chemistry fundamentals to solve challenges related to semiconductor processes and materials applicationsInterest in advanced technology and an on-going desire to learnAbility to work effectively and efficiently with diverse teamsPreferred qualificationsExperience with reactive molecular dynamics (e.g. ReaxFF)Experience with MLIP architectures (e.g. MACE, SevenNet)Strong organizational skills and demonstrated ability to manage multiple tasks simultaneouslyAbility to react to shifting priorities to meet business needs and deadlinesCollaboration/Matrix environment mindsetOur commitmentWe believe it is important for every person to feel valued, included, and empowered to achieve their full potential. By bringing unique individuals and viewpoints together, we achieve extraordinary results.Lam Research ("Lam" or the "Company") is an equal opportunity employer. Lam is committed to and reaffirms support of equal opportunity in employment and non-discrimination in employment policies, practices and procedures on the basis of race, religious creed, color, national origin, ancestry, physical disability, mental disability, medical condition, genetic information, marital status, sex (including pregnancy, childbirth and related medical conditions), gender, gender identity, gender expression, age, sexual orientation, or military and veteran status or any other category protected by applicable federal, state, or local laws. It is the Company's intention to comply with all applicable laws and regulations. Company policy prohibits unlawful discrimination against applicants or employees.Lam offers a variety of work location models based on the needs of each role. Our hybrid roles combine the benefits of on-site collaboration with colleagues and the flexibility to work remotely and fall into two categories – On-site Flex and Virtual Flex. ‘On-site Flex’ you’ll work 3+ days per week on-site at a Lam or customer/supplier location, with the opportunity to work remotely for the balance of the week. ‘Virtual Flex’ you’ll work 1-2 days per week on-site at a Lam or customer/supplier location, and remotely the rest of the time.SalaryCA San Francisco Bay Area Salary Range for this position: $119,000.00 - $261,000.00.The above salary range for this position is relevant to applicants that reside or work onsite in the California, San Francisco Bay Area only. Salary offers will depend on factors that include the location you work from, your level, education, training, specific skills, years of experience and comparison to other employees already in this role. Actual salary may vary from salary offered due to numerous factors including but not limited to unpaid time off, unpaid leave, company mandated shutdown, and other relevant factors.Our Perks and BenefitsAt Lam, our people make amazing things possible. That’s why we invest in you throughout the phases of your life with a comprehensive set of outstanding benefits. #J-18808-Ljbffr

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About Lam Research

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Lam Research designs and builds products for semiconductor manufacturing, including equipment for thin film deposition, plasma etch, photoresist strip, and wafer cleaning processes.

Industry

Manufacturing

Company size

10,000+ Employees

Headquarters location

Fremont, CA, US

Year founded

1980

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