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Computational Vasp Jobs (NOW HIRING)

NCSU

Research Engineer

Raleigh, NC · On-site

  • Medical

  • Dental

  • Vision

  • Life

  • Retirement

  • PTO

Computational Modeling and Simulation: Formulate and execute reactor core and system simulations ... Strong capabilities in using MCNP, Serpent, NJOY, OpenFoam, VASP, and PHONON codes. Strong ...

North Carolina State University

Research Engineer

Raleigh, NC · On-site

  • Medical

  • Dental

  • Vision

  • Life

  • Retirement

  • PTO

Computational Modeling and Simulation: Formulate and execute reactor core and system simulations ... Strong capabilities in using MCNP, Serpent, NJOY, OpenFoam, VASP, and PHONON codes. Strong ...

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Computational Vasp information

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How much do computational vasp jobs pay per hour?

As of Aug 13, 2026, the average hourly pay for computational vasp in the United States is $54.93, according to ZipRecruiter salary data. Most workers in this role earn between $46.88 and $73.56 per hour, depending on experience, location, and employer.

What are the key skills and qualifications needed to thrive as a computational VASP specialist?

To thrive as a Computational VASP Specialist, you need a solid background in computational physics, materials science, or chemistry, often supported by an advanced degree and experience with first-principles calculations. Proficiency in using VASP software, Linux/Unix systems, scripting languages (like Python or Bash), and high-performance computing resources is crucial. Strong problem-solving skills, attention to detail, and effective communication are essential soft skills for this role. These competencies enable accurate simulations, efficient workflow management, and clear collaboration with interdisciplinary research teams.

What is the difference between Computational Vasp vs Quantum Chemistry Software Developer?

AspectComputational VaspQuantum Chemistry Software Developer
Required CredentialsPhysics or materials science degree, experience with DFTChemistry or physics degree, programming skills in quantum chemistry
Work EnvironmentResearch labs, computational clustersResearch institutions, software development teams
Industry UsageMaterials science, condensed matter physicsPharmaceuticals, chemical research, academia

Computational Vasp focuses on simulating materials properties using density functional theory, primarily in materials science. Quantum Chemistry Software Developers create tools for molecular modeling and quantum calculations. While both roles involve quantum mechanics and programming, Vasp specialists typically work on materials simulations, whereas developers focus on software creation for quantum chemistry applications.

What is a computational VASP specialist?

A Computational VASP specialist is an expert who uses the Vienna Ab initio Simulation Package (VASP) for performing quantum mechanical simulations of materials at the atomic scale. VASP is a widely used software tool in computational physics, chemistry, and materials science for modeling and predicting the properties of solids, surfaces, and molecules. Specialists in this field typically have a strong background in computational methods, quantum mechanics, and materials modeling, and they often work in research, development, or academic settings.

What are some common challenges faced by professionals working with VASP in computational research roles?

Professionals using VASP (Vienna Ab initio Simulation Package) in computational research often face challenges such as optimizing calculation parameters for accuracy versus computational cost, managing large datasets from simulations, and ensuring reproducibility of results. Additionally, they frequently need to collaborate closely with experimental teams to validate findings and may spend significant time troubleshooting input files or convergence issues. Staying updated with the latest software updates and computational techniques is also important to maintain efficient workflows.
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Computational Vasp jobs near you
Infographic showing various Computational Vasp job openings in the United States as of August 2026, with employment types broken down into 4% Internship, 61% Full Time, 33% Part Time, and 2% Contract. Highlights an 62% Physical, 2% Hybrid, and 36% Remote job distribution, with an average salary of $114,249 per year, or $54.9 per hour.

Modeling and Simulation Manager

Vulcan Elements

Raleigh, NC

Full-time

Re-posted 11 days ago

Job description

Vulcan Elements is manufacturing American rare-earth permanent magnets for a secure, resilient future. With a focus on national security and economic resiliency, we serve critical industries such as defense, aerospace, and automotive powering a high-technology future. Vulcan Elements is building a team of ambitious professionals committed to Mission Focus, Technical Excellence and Transparency.

As the Modeling and Simulation Manager you will grow and lead a multidisciplinary team of computational scientists and engineers, driving physics-based and data-based modeling efforts that directly improve magnet performance, production yields, and process efficiency.

This is a hands-on technical leadership role. You will both contribute directly to modeling work and grow a team with deep expertise across a variety of modeling and simulation modalities, including but not limited to mechanical, fluid dynamics, electronic structure, and mathematical and image analysis. Your group's output will shape process decisions, reduce experimental iteration cycles, and create quantitative links between structure, processing conditions, and final properties.

This role will initially support pilot-scale and R&D activities (RTP, NC), with the potential to contribute to commercial plant operations (Benson, NC) in the next year.

The ideal candidate has hands-on experience with one or more of COMSOL, Fluent, finite element analysis, thermodynamic modeling (FactSage, ThermoCalc), mathematical and image analyses, and density functional theorgy, as well as experience as a people leader.

Responsibilities

Build and manage a matrixed modeling and simulations team with broad expertise spanning Finite element analysis, Computational fluid dynamics, Stress/Strain analysis, thermodynamic modeling, mathematical/image analysis, and DFT; define hiring roadmap, team structure, and capability milestones.

  • Translate R&D priorities into a modeling agenda with clear deliverables, timelines, and success criteria in partnership with process engineering, materials science, and production teams.
  • Foster a culture of scientific rigor, reproducibility, and rapid iteration; establish standards for model validation, documentation, and peer review.
  • Present results and recommendations to technical and executive stakeholders; communicate uncertainty and model limitations clearly.

Responsibilities and tasks outlined are not exhaustive and may change as determined by the needs of the business.

Qualifications

  • Ph.D. or M.S. in Materials Science, Chemical Engineering, Mechanical Engineering, Applied Physics, or a related quantitative field.
  • 5+ years of hands-on experience with COMSOL, Fluent, or equivalent; demonstrated ability to build and validate coupled multiphysics models and finite element analysis (FEA).
  • Strong mathematical modeling background; experience with image analysis, machine learning, statistical modeling, or signal processing applied to materials characterization data.
  • Familiarity with rare earth magnets, NdFeB alloy systems, or related metallic/magnetic materials.
  • Experience leading or mentoring a small technical team; ability to set priorities, provide technical guidance, and develop junior researchers.
  • Proficiency in Python, MATLAB, Git, or equivalents for scripting, data analysis, and model post-processing.
  • Strong written and verbal communication skills; able to produce clear technical reports and present complex results to non-specialist audiences.

Must be a U.S. Person due to required access to U.S. export-controlled information or facilities

Preferred Qualifications

  • Direct experience with DFT codes (VASP, Quantum ESPRESSO, or similar) or demonstrated ability to direct and interpret DFT studies.
  • Background in rare earth processing, hydrometallurgy, or magnet manufacturing.
  • Experience with grain boundary diffusion processes or sintering simulation.
  • Familiarity with thermodynamic modeling and databases such as FactSage, or ThermoCalc
  • Knowledge of machine learning principles for data analysis
  • Familiarity with electron microscopy image analysis (SEM/EDS/EBSD) and quantitative microstructural characterization.
  • Publication record in computational materials science, process simulation, or permanent magnets.
  • Experience managing budgets, external collaborators, or academic partnerships.