1

Computational Materials Dft Jobs (NOW HIRING)

Materials Science Engineering The Opportunity A postdoctoral position is available in computational ... At least five years (including PhD thesis research) of experience in DFT-based first-principles ...

Showing results 41-60

Computational Materials Dft information

See salary details

$11

$16

$27

How much do computational materials dft jobs pay per hour?

As of Aug 19, 2026, the average hourly pay for computational materials dft in the United States is $16.76, according to ZipRecruiter salary data. Most workers in this role earn between $13.22 and $17.55 per hour, depending on experience, location, and employer.

What is a computational materials DFT job?

Computational Materials DFT jobs involve using Density Functional Theory (DFT) and related computational methods to study and predict the properties of materials at the atomic and molecular level. Scientists and engineers in these roles use computer simulations to understand material behavior, design new materials, and optimize existing ones for applications in fields such as electronics, energy, and nanotechnology. These jobs typically require strong backgrounds in materials science, physics, chemistry, and programming, as well as experience with specialized simulation software.

What are the key skills and qualifications needed to thrive as a computational materials DFT scientist?

To thrive as a Computational Materials DFT Scientist, you need a solid background in physics, chemistry, or materials science, with advanced knowledge of quantum mechanics and DFT principles, often supported by a graduate degree. Experience with computational tools like VASP, Quantum ESPRESSO, or CASTEP, as well as proficiency in programming languages such as Python or Fortran, is typically required. Strong analytical thinking, problem-solving abilities, and effective communication skills help you interpret results and collaborate with interdisciplinary teams. Mastery of these skills enables accurate simulations, insightful data analysis, and impactful contributions to materials research and development.

What are some common challenges faced by computational materials DFT researchers when collaborating with experimental teams?

Computational Materials DFT researchers often collaborate closely with experimental scientists to validate and interpret simulation results. A common challenge is effectively communicating complex theoretical concepts and computational limitations to non-specialists, which is crucial for aligning expectations and designing complementary experiments. Additionally, discrepancies between simulated and experimental data can arise due to idealized computational models or limitations in available material parameters, requiring proactive troubleshooting and iterative collaboration. Building strong interdisciplinary relationships and maintaining open channels of communication are key to overcoming these challenges.

What is the difference between Computational Materials Dft vs Computational Materials Scientist?

AspectComputational Materials DftComputational Materials Scientist
CredentialsTypically requires a PhD in materials science, physics, or chemistry with expertise in DFT methodsRequires a PhD or master's in similar fields with broader computational modeling skills
Work EnvironmentPrimarily research-focused, often in academia or R&D labs, using DFT softwareResearch and development across industries, applying various computational techniques including DFT
Industry UsageUsed for detailed electronic structure calculations of materialsApplied for material design, simulation, and analysis across multiple sectors

Computational Materials Dft specialists focus on electronic structure calculations using DFT, while Computational Materials Scientists have broader roles involving multiple computational methods for material research and development.

More about Computational Materials Dft jobs

What cities are hiring for Computational Materials Dft jobs?

Cities with the most Computational Materials Dft job openings:

What states have the most Computational Materials Dft jobs?

States with the most job openings for Computational Materials Dft jobs include:

Infographic showing various Computational Materials Dft job openings in the United States as of August 2026, with employment types broken down into 1% As Needed, 82% Full Time, 13% Part Time, 1% Temporary, 2% Contract, and 1% Nights. Highlights an 92% Physical, 2% Hybrid, and 6% Remote job distribution, with an average salary of $34,865 per year, or $16.8 per hour.

Staff Computational Chemistry/MD Engineer

LAM RESEARCH Corporation

Fremont, CA • On-site

$141 - $307/hr

Other

Re-posted 3 days ago


Lam Research rating

8.2

Company rating: 8.2 out of 10

Based on 46 frontline employees who took The Breakroom Quiz

132nd of 490 rated machine equipment manufacturers


Job description

The group you’ll be a part of

In 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 make

As a Staff Computational Chemistry/MD 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 do

Technical

  • Perform first-principles calculations and atomistic modeling to investigate reaction mechanisms, surface chemistry, plasma-surface interactions, and materials behavior
  • Generate high fidelity training datasets from quantum chemistry and density functional theory (DFT) calculations to support development of next-generation simulation capabilities
  • Utilize computational chemistry learning to support process engineering research & development, and process/chamber/feature simulations
  • Plan projects involving definition and selection of new concepts and approaches for simulation evaluation workflows
  • Compile and evaluate modeling data to provide guidance on chemistries and materials, as well as appropriate limits and variables for process specifications
  • Communicate chemistry and process insights clearly through presentations and technical discussions with stakeholders

Leadership

  • Act as a resource for colleagues with less experience in atomistic simulations
Minimum qualifications
  • Ph.D. in Computational Chemistry, Chemistry, Chemical Engineering or Materials Science (or equivalent)
  • 5-8 years of industry experience, post Ph.D.
  • Experience using DFT software (e.g. Gaussian, Quantum Espresso)
  • Experience with frontier molecular orbital analysis and full reaction pathway studies
  • Experience applying quantum chemistry fundamentals to solve challenges related to semiconductor processes and materials applications
  • Experience with MLIP architectures (e.g. MACE, SevenNet)
  • Strong organizational skills and demonstrated ability to manage multiple tasks simultaneously
  • Interest in advanced technology and an on-going desire to learn
  • Ability to work effectively and efficiently with diverse teams
Preferred qualifications
  • Experience with reactive molecular dynamics (e.g. ReaxFF)<
Our commitment

We 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.

Salary

CA San Francisco Bay Area Salary Range for this position: $141,000.00 - $307,000.00.

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 Benefits

At 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

What Lam Research employees say

Pay

Benefits

Hours and flexibility

Workplace

Get the full story on Breakroom


Lam Research logo

About Lam Research

Sourced by ZipRecruiter

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

Social media