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What are atomistic simulations?

Atomistic simulations are computational methods used to model and study the behavior of materials and molecules at the atomic scale. By simulating the interactions between individual atoms, these techniques help scientists understand material properties, chemical reactions, and biological processes. Common approaches include molecular dynamics (MD) and Monte Carlo simulations, which predict how atoms move and interact over time. Atomistic simulations are widely used in chemistry, physics, materials science, and biology to complement experimental research and design new materials.

What are the key skills and qualifications needed to thrive as an atomistic simulation scientist, and why are they important?

To excel as an Atomistic Simulation Scientist, you need a strong background in physics, chemistry, or materials science, often supported by a relevant advanced degree and experience in computational modeling. Familiarity with simulation software such as LAMMPS, VASP, or GROMACS, as well as programming languages like Python or Fortran, is essential. Strong analytical thinking, problem-solving abilities, and effective communication skills help you interpret results and collaborate with interdisciplinary teams. These competencies are crucial for designing accurate simulations, deriving meaningful insights, and advancing research or product development.

What are some common challenges faced by professionals working in atomistic simulations, and how can they be addressed?

Professionals in atomistic simulations often encounter challenges such as managing large datasets, ensuring the accuracy of computational models, and optimizing simulation performance. Collaborating closely with interdisciplinary teams—including experimentalists, computational scientists, and software engineers—helps overcome these barriers. Staying updated with the latest software tools and high-performance computing resources is also essential for efficient workflow. Regularly validating simulation results against experimental data enhances credibility and reliability in findings.

What is the difference between Atomistic Simulations vs Computational Chemist?

AspectAtomistic SimulationsComputational Chemist
Required CredentialsBachelor's or Master's in Chemistry, Physics, or related fields; knowledge of simulation softwareBachelor's or Master's in Chemistry, Chemical Engineering, or related; strong computational skills
Work EnvironmentResearch labs, academic institutions, industry R&DResearch labs, pharmaceutical companies, academia
Industry UsageMaterial science, nanotechnology, molecular modelingDrug discovery, material design, chemical analysis

Atomistic Simulations involve modeling materials or molecules at the atomic level using computational methods. Computational Chemists apply these techniques to solve chemical problems, often utilizing atomistic simulations as part of their work. While both roles require similar educational backgrounds and work environments, atomistic simulations focus specifically on the simulation techniques, whereas computational chemists may also include data analysis and experimental design.

What are popular job titles related to Atomistic Simulations jobs in Colorado? For Atomistic Simulations jobs in Colorado, the most frequently searched job titles are:
What job categories do people searching Atomistic Simulations jobs in Colorado look for? The top searched job categories for Atomistic Simulations jobs in Colorado are:
Atomistic Simulations jobs near you

NIST PREP Research Scientist in High Speed Metrology for Magnetoelectronic Devices and Models

Southeastern Universities Research Association

Boulder, CO • On-site

$95K - $99K/yr

Full-time

Re-posted 14 days ago

Job description

This position is part of the National Institute of Standards (NIST) Professional Research Experience (PREP) program. NIST recognizes that its research staff may wish to collaborate with researchers at academic institutions on specific projects of mutual interest and thus requires that such institutions be the recipients of a PREP award. The PREP program requires staff from a wide range of backgrounds to work on scientific research in many areas. Employees in this position will perform technical work that underpins the scientific research of the collaboration.
Research Title: High speed metrology for magnetoelectronic devices and models: Research Associate
The work will entail: This position focuses on developing film-level optical methods of measuring the Heisenberg exchange parameter in thin films relevant to the magnetic random-access memory (MRAM) industry. These measurements will be correlated with detailed measurements of device performance made on devices fabricated at NIST, and these correlations will be used to develop better models of device switching. In addition, the Associate will work on the development of electrical methods for estimating the attempt time of MRAM bit cells. In each of these projects the Associate will work closely with NIST staff, but the Associate must be self-motivated in designing and executing measurements, developing robust data analysis methods with proper statistical validation, and reporting these results to the group and via publication. This is a fast-paced, high impact, short-term research position with a maximum duration of 12 months. Note that this is an in-person position located in Boulder, CO.
U.S. Citizen Preferred
Key responsibilities will include but are not limited to:
  • Designing, building, maintaining, and using optical measurement systems based on inelastic light scattering
  • Developing high speed electronic (microwave) measurements, including pulsed, harmonic, sampled and real-time measurement methods using microwave sources, arbitrary waveform generators, and oscilloscopes
  • Analyze heterogeneous data sources including optical spectra, read- and write-error rate datastreams, real-time and sampled high speed electronic traces.
  • Analyze temperature-dependent magnetization data using advanced atomistic fitting models
  • Fabricating magnetoelectronic devices using optical and electron beam lithography, reactive and physical ion etching methods.
  • Presenting results at internal meetings, and occasional meetings with external stakeholders.
  • Ensuring that results, protocols, software, and documentation have been archived or otherwise transmitted to the larger organization.

Qualifications
  • A Ph.D. in Physics, Electrical Engineering, or related field. Several years of post-degree experience in relevant areas preferred.
  • Experience with the design and fabrication of magnetic nanostructures including magnetron sputter and e-beam evaporative deposition or molecular beam epitaxy, electron-beam and photo-lithography
  • Experience with characterization tools including SQUID, Ferromagnetic Resonance Spectroscopy, MOKE, x-ray reflectometry, secondary-ion mass spectrometry.
  • Demonstrated experience with micromagnetic simulation tools including MuMAX
  • Demonstrated experience in temperature-dependent magnetic simulations, in particular atomistic simulations of the temperature-dependence of magnetization
  • Experience developing novel data acquisition platforms to acquire DC and RF data at scale.
  • Familiarity with scripting languages including Python and their implementation on GPU clusters for data analysis.
  • Ability to develop tools needed to analyze large datasets using Python, MATLAB, or similar programming environments.
  • Strong oral and written communication skills.
  • Track recording of publishing in peer reviewed scientific journals.

Privacy Act StatementAuthority: 15 U.S.C. § 278g-1(e)(1) and (e)(3) and 15 U.S.C. § 272(b) and (c)
Purpose: The National Institute for Standards and Technology (NIST) hosts the Professional Research Experience Program (PREP) which is designed to provide valuable laboratory experience and financial assistance to undergraduates, post-bachelor's degree holders, graduate students, master's degree holders, postdocs, and faculty.
PREP is a 5-year cooperative agreement between NIST laboratories and participating PREP Universities to establish a collaborative research relationship between NIST and U.S. institutions of higher education in the following disciplines including (but may not be limited to) biochemistry, biological sciences, chemistry, computer science, engineering, electronics, materials science, mathematics, nanoscale science, neutron science, physical science, physics, and statistics. This collection of information is needed to facilitate the administrative functions of the PREP Program.
Routine Uses: NIST will use the information collected to perform the requisite reviews of the applications to determine eligibility, and to meet programmatic requirements. Disclosure of this information is also subject to all the published routine uses as identified in the Privacy Act System of Records Notices: NIST-1: NIST Associates.
Disclosure: Furnishing this information is voluntary. When you submit the form, you are indicating your voluntary consent for NIST to use of the information you submit for the purpose stated. By applying to a CHIPS-funded PREP opportunity, you also acknowledge that participation in the project requires signing a Non-Disclosure Agreement (NDA) prior to beginning any work.
SURA is an Equal Opportunity Employer. We believe that no one should be discriminated against because of their differences, such as age, disability, ethnicity, gender, gender identity and expression, religion, or sexual orientation. All employment decisions shall be made without regard to age, race, creed, color, religion, sex, national origin, ancestry, disability status, veteran status, sexual orientation, gender identity or expression, genetic information, marital status, citizenship status, or any other basis as protected by federal, state, or local law.
PREP0004233

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