1

Internship Computational Materials Science Jobs (NOW HIRING)

Technical Product Manager

Woburn, MA ยท On-site +1

$200K - $225K/yr

  • Medical

This role requires deep literacy in computational materials science and AI4Science to coordinate strategy across our research, engineering, and materials teams. As the Technical Product Manager, you ...

Technical Product Manager

Woburn, MA ยท On-site

$200 - $225/hr

  • Medical

This role requires deep literacy in computational materials science and AI4Science to coordinate strategy across our research, engineering, and materials teams. As the Technical Product Manager, you ...

Showing results 21-40

Internship Computational Materials Science information

See salary details

$11

$19

$29

How much do internship computational materials science jobs pay per hour?

As of Aug 14, 2026, the average hourly pay for internship computational materials science in the United States is $19.31, according to ZipRecruiter salary data. Most workers in this role earn between $16.11 and $20.91 per hour, depending on experience, location, and employer.

What is an internship in computational materials science?

An internship in computational materials science is a temporary position, usually for students or recent graduates, where you gain hands-on experience using computer simulations and modeling to study and design materials. Interns typically work on research projects involving software tools to predict material properties, analyze data, or develop new materials. This experience provides valuable skills in programming, data analysis, and scientific research, which are essential for a career in materials science or related fields.

What is the difference between Internship Computational Materials Science vs Computational Materials Scientist?

AspectInternship Computational Materials ScienceComputational Materials Scientist
CredentialsEnrolled in or recent graduate of relevant degree programsAdvanced degree (Master's or Ph.D.) in materials science, physics, or related fields
Work EnvironmentAcademic or research labs, internships at industry companiesResearch and development teams in industry or academia
ResponsibilitiesAssisting with computational modeling, data analysis, learning industry toolsLeading projects, developing models, publishing research

Internship Computational Materials Science positions are entry-level, focused on learning and supporting ongoing projects, while Computational Materials Scientists are experienced professionals responsible for independent research and development in the field.

What types of projects can an intern expect to work on in a computational materials science internship?

As a Computational Materials Science intern, you can expect to be involved in projects such as simulating material properties, analyzing large datasets from experiments, or developing and testing computational models. Interns often assist with software coding, data visualization, and running simulations using tools like Density Functional Theory (DFT) or molecular dynamics packages. Collaboration with other scientists and engineers is common, and you may contribute to research publications or presentations, providing valuable hands-on experience in both individual and team-based research settings.

What are the key skills and qualifications needed to thrive in a computational materials science internship?

To thrive as an intern in Computational Materials Science, you typically need a solid background in materials science, physics, or related fields, along with programming skills in languages such as Python or C++. Familiarity with computational tools like Density Functional Theory (DFT) software (e.g., VASP, Quantum ESPRESSO) and data analysis platforms is highly beneficial. Strong analytical thinking, attention to detail, and effective communication set candidates apart in collaborative research environments. These competencies enable interns to contribute meaningfully to simulations, data interpretation, and innovative materials research.
More about Internship Computational Materials Science jobs

What cities are hiring for Internship Computational Materials Science jobs?

Cities with the most Internship Computational Materials Science job openings:

What are the most commonly searched types of Computational Materials Science jobs?

The most popular types of Computational Materials Science jobs are:

What states have the most Internship Computational Materials Science jobs?

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

What job categories do people searching Internship Computational Materials Science jobs look for?

The top searched job categories for Internship Computational Materials Science jobs are:

Infographic showing various Internship Computational Materials Science job openings in the United States as of August 2026, with employment types broken down into 100% Full Time. Highlights an 75% In-person, and 25% Remote job distribution, with an average salary of $40,174 per year, or $19.3 per hour.

Research Scientist, Computational Condensed Matter Physics

Lila Sciences

Cambridge, MA โ€ข On-site

$176K - $304K/yr

Full-time

Medical, Dental, Vision, Life

Posted 17 days ago


Job description

Your Impact at LILA
Your role will involve applying computational condensed matter physics and electronic structure expertise to accelerate materials discovery, optimization, and understanding. You will use first-principles modeling, atomistic simulations, scientific machine learning, and agentic AI systems to investigate complex materials with direct relevance to superconductors, quantum materials, or electronic devices.
You will work at the intersection of physics-based simulation, AI/ML, and autonomous scientific workflows. The focus is on using computational insight to identify promising materials, explain structure-property relationships, guide optimization, and help agents reason over simulation and experimental data in scientifically grounded ways.
This is a hands-on research role for someone who can connect deep condensed matter and electronic structure expertise with practical materials discovery impact. You will collaborate with computational scientists, AI researchers, software engineers, and experimental teams to turn simulations, models, and scientific reasoning into actionable hypotheses and discovery workflows.
What You'll Be Building
  • Apply computational condensed matter physics to materials discovery and optimization.
  • Use computational physics methods (such as electronic structure and phonon calculations) to study quantum materials, superconductors and electronic devices.
  • Connect simulation outputs to experimental observations and develop workflows that close the loop between computation and experiment.
  • Build predictive models from computational and experimental data to guide materials selection and optimization.
  • Analyze simulation and experimental data to generate actionable materials hypotheses.
  • Partner with ML, software, and experimental teams on discovery workflows.
  • Communicate physical insights, model limitations, and recommendations to collaborators.

What You'll Need to Succeed
  • PhD or equivalent experience in Physics, Materials Science, Chemistry, Applied Mathematics, or a related field.
  • Strong foundation in computational condensed matter physics, electronic structure, or atomistic simulation.
  • Deep understanding of electronic-structure theory (quantum chemistry, DFT, beyond-DFT methods, etc.) and their application to electronic, magnetic, or quantum materials.
  • Experience applying first-principles or atomistic methods to materials discovery, optimization, or understanding.
  • Familiarity with superconductors, quantum materials, electronic materials, semiconductors, or device-relevant materials systems.
  • Strong programming skills in Python and scientific computing workflows.

Bonus Points For
  • Experience working with amorphous materials, vibrational properties calculations and advanced electronic structure methods.
  • Experience applying AI/ML to computational materials science or physics-based simulation data.
  • Familiarity with agentic AI systems, autonomous scientific workflows, or simulation-aware agents.
  • Background working with quantum materials, superconductors, semiconductors, or electronic device materials.
  • Experience integrating computational predictions with experimental characterization, device measurements, or closed-loop optimization workflows.
  • Ability to communicate physical insight, uncertainty, and model limitations to cross-functional collaborators.

Compensation
We offer competitive base compensation with bonus potential and generous early-stage equity. Your final offer will reflect your background, expertise, and expected impact.
U.S. Benefits. Full-time U.S. employees receive a comprehensive benefits program including medical, dental, and vision coverage; employer-paid life and disability insurance; flexible time off with generous company wide holidays; paid parental leave; an educational assistance program; commuter benefits, including bike share memberships for office based employees; and a company subsidized lunch program.
International Benefits. Full-time employees outside the U.S. receive a comprehensive benefits program tailored to their region. USD salary ranges apply only to U.S.-based positions; international salaries are set to local market.
Expected Base Salary Range
$176,000-$304,000 USD
About LILA
Lila Sciences is building Scientific Superintelligenceโ„ข to solve humankind's greatest challenges. We believe science is the most inspiring frontier for AI. Rather than hard-coding expert knowledge into tools, LILA builds systems that can learn for themselves.
LILA combines advanced AI models with proprietary AI Science Factoryโ„ข instruments into an operating system for science that executes the entire scientific method autonomously, accelerating discovery at unprecedented speed, scale, and impact across medicine, materials, and energy. Learn more at www.lila.ai.
Guided by our core values of truth, trust, curiosity, grit, and velocity, we move with startup speed while tackling problems of historic importance. If this sounds like an environment you'd love to work in, even if you don't meet every qualification listed above, we encourage you to apply.
We're All In
Lila Sciences is committed to equal employment opportunity regardless of race, color, ancestry, religion, sex, national origin, sexual orientation, age, citizenship, marital status, disability, gender identity or Veteran status.
Information you provide during your application process will be handled in accordance with our Candidate Privacy Policy.
A Note to Agencies
Lila Sciences does not accept unsolicited resumes from any source other than candidates. The submission of unsolicited resumes by recruitment or staffing agencies to Lila Sciences or its employees is strictly prohibited unless contacted directly by Lila Science's internal Talent Acquisition team. Any resume submitted by an agency in the absence of a signed agreement will automatically become the property of Lila Sciences, and Lila Sciences will not owe any referral or other fees with respect thereto.