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Computational Vasp Jobs (NOW HIRING)

IonQ

Staff Scientist - Quantum Applications

You will play a key role in developing core IP, computational resource models, long-term roadmaps ... VASP (materials science and semiconductor applications), Synopsys LS-DYNA, HFSS, Fluent, Sentaurus ...

NCSU

Research Engineer

Raleigh, NC · On-site

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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$54

$74

How much do computational vasp jobs pay per hour?

As of Jul 22, 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 (Vienna Ab initio Simulation Package) Specialist, and why are they important?

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 tech jobs pay 400,000 a year?

In the field of computational materials science, roles such as senior computational scientists or research directors can reach or exceed $400,000 annually, especially in high-demand industries like pharmaceuticals or advanced materials. These positions typically require advanced degrees, extensive experience, and expertise in tools like VASP, high-performance computing, and programming skills. Compensation varies based on industry, location, and level of responsibility.

What jobs are visual thinkers good at?

Computational Vasp professionals, who often work with complex data and modeling, are well-suited for roles that require strong visual thinking such as data visualization, scientific modeling, and computational design. These jobs benefit from skills in graphical representation, spatial reasoning, and familiarity with visualization tools like VESTA or VMD.

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 kind of jobs are in computational linguistics?

Jobs in computational linguistics include roles such as natural language processing (NLP) engineer, computational linguist, language data scientist, and speech recognition specialist. These positions typically require skills in programming, linguistics, and machine learning, and are found in tech companies, research institutions, and AI-focused organizations.

What jobs in the US pay 300,000 a year?

In the US, high-paying roles such as senior computational scientists, data scientists, machine learning engineers, and specialized software engineers can earn $300,000 or more annually, especially with advanced skills, experience, and often in tech, finance, or research sectors. These positions typically require strong programming skills, expertise in algorithms, and sometimes advanced degrees or certifications.

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 July 2026, with employment types broken down into 68% Full Time, 31% Part Time, and 1% Contract. Highlights an 65% Physical, 2% Hybrid, and 33% Remote job distribution, with an average salary of $114,249 per year, or $54.9 per hour.
Postdoctoral Appointee - Building Agentic AI Platform for X-ray Science

Postdoctoral Appointee - Building Agentic AI Platform for X-ray Science

Argonne National Laboratory

Lemont, IL

$72K - $121K/yr

Full-time

Posted 10 days ago

Job description

We are seeking a highly motivated and creative Postdoctoral Researcher to join the X-ray Science Division (XSD) at Argonne National Laboratory. The successful candidate will develop an AI-enabled platform for X-ray absorption spectroscopy by integrating LLMs, scientific machine learning, physics-aware workflows, and strong computational chemistry/electronic-structure expertise. The researcher will work with a multidisciplinary team to advance agentic AI tools for simulation, interpretation, data analysis, and scientific discovery. The appointment is expected to last two years and the contract is extended yearly.

Position Requirements

  • A recent PhD (within 5 years) in computational chemistry, chemistry, materials science, physics, computational science, computer science, engineering, or a related field.

  • Strong computational chemistry background in atomistic simulations, electronic-structure theory, DFT, structure-property relationships, and interpretation of simulation results.

  • Hands-on experience with DFT or electronic-structure codes such as VASP, Quantum ESPRESSO, CP2K, ABINIT, GPAW, Gaussian, ORCA, Q-Chem, or related packages.

  • Strong materials science or chemistry domain knowledge, such as bonding, defects, catalysis, batteries, solid-state chemistry, molecular systems, or related materials classes.

  • Strong Python skills and familiarity with LLM APIs, agent frameworks , PyTorch, and the Python scientific stack (e.g., numpy, pandas, scikit-learn). Passion for front-end development and web-based applications, back-end services and API design (e.g., FastAPI, Flask), and deploying applications in local or cloud environments.

  • Experience with complex scientific datasets and reproducible analysis or simulation workflows.

  • Effective written and oral communications skills.

  • Demonstrated ability to work both independently and collaboratively in a multidisciplinary environment.

  • Commitment to Argonne's Core Values: Impact, Safety, Respect, Integrity, and Teamwork.

Preferred Knowledge, Skills, and Experience

  • Experience with X-ray absorption spectroscopy theory, modelling, and interpretation, including XANES/EXAFS.

  • Hands-on experience with XAS simulation packages such as FEFF, OCEAN, FDMNES, XSpectra, or exciting.

  • Experience comparing simulated and experimental XAS/XAFS spectra.

  • Experience with high-throughput spectroscopy workflows, HPC, synchrotron datasets, or physics-informed AI.

**Please include a cover letterthat briefly describes relevant simulation, chemistry, AI/ML, and XAS experience; include code links if available.**

Job Family

Postdoctoral

Job Profile

Postdoctoral Appointee

Worker Type

Long-Term (Fixed Term)

Time Type

Full timeThe expected hiring range for this position is $72,879.00-$121,465.00.

Please note that the pay range information is a general guideline only. The pay offered to a selected candidate will be determined based on factors such as, but not limited to, the scope and responsibilities of the position, the qualifications of the selected candidate, business considerations, internal equity, and external market pay for comparable jobs. Additionally, comprehensive benefits are part of the total rewards package.

Click here to view Argonne employee benefits!

As an equal employment opportunity employer, and in accordance with our core values of impact, safety, respect, integrity and teamwork, Argonne National Laboratory is committed to a safe and welcoming workplace that fosters collaborative scientific discovery and innovation. Argonne encourages everyone to apply for employment. Argonne is committed to nondiscrimination and considers all qualified applicants for employment without regard to any characteristic protected by law.

Argonne employees, and certain guest researchers and contractors, are subject to particular restrictions related to participation in Foreign Government Sponsored or Affiliated Activities, as defined and detailed in United States Department of Energy Order 486.1A. You will be asked to disclose any such participation in the application phase for review by Argonne's Legal Department.

All Argonne offers of employment are contingent upon a background check that includes an assessment of criminal conviction history conducted on an individualized and case-by-case basis. Please be advised that Argonne positions require upon hire (or may require in the future) for the individual be to obtain a government access authorization that involves additional background check requirements. Failure to obtain or maintain such government access authorization could result in the withdrawal of a job offer or future termination of employment.

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