... Simulate materials and account for fundamental physical effects under a range of environmental ... with atomistic (e.g. molecular dynamics, Monte Carlo) and/or ab initio (e.g. density functional ...
... Simulate materials and account for fundamental physical effects under a range of environmental ... with atomistic (e.g. molecular dynamics, Monte Carlo) and/or ab initio (e.g. density functional ...
Post-Doctoral Research Associate: Department of Physics and Astronomy - UTK
Knoxville, TN · On-site
$2.5K/wk
Simulate materials and account for fundamental physical effects under a range of environmental ... Familiarity with atomistic (e.g. molecular dynamics, Monte Carlo) and/or ab initio (e.g. density ...
Post-Doctoral Research Associate: Department of Physics and Astronomy - UTK
Knoxville, TN · On-site
$2.5K/wk
Simulate materials and account for fundamental physical effects under a range of environmental ... Familiarity with atomistic (e.g. molecular dynamics, Monte Carlo) and/or ab initio (e.g. density ...
Familiarity with atomistic (e.g. molecular dynamics, Monte Carlo) and/or ab initio (e.g. density ... Simulate materials and account for fundamental physical effects under a range of environmental ...
Familiarity with atomistic (e.g. molecular dynamics, Monte Carlo) and/or ab initio (e.g. density ... Simulate materials and account for fundamental physical effects under a range of environmental ...
Atomistic Simulations information
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?
| Aspect | Atomistic Simulations | Computational Chemist |
|---|---|---|
| Required Credentials | Bachelor's or Master's in Chemistry, Physics, or related fields; knowledge of simulation software | Bachelor's or Master's in Chemistry, Chemical Engineering, or related; strong computational skills |
| Work Environment | Research labs, academic institutions, industry R&D | Research labs, pharmaceutical companies, academia |
| Industry Usage | Material science, nanotechnology, molecular modeling | Drug 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 Tennessee? For Atomistic Simulations jobs in Tennessee, the most frequently searched job titles are:
What job categories do people searching Atomistic Simulations jobs in Tennessee look for? The top searched job categories for Atomistic Simulations jobs in Tennessee are:
- Xps Solutions
- Co Op Postdoctoral Ultrafast Spectroscopy
- Contractual Anti Corruption Compliance
- Freelance Mechanical Engineering Postdoctoral
- Senior Specialist H1B Aerospace
- Postdoctoral Neuromodulation
- Postdoctoral Organic Synthesis
- Volunteering Drone Developer
- Apprentice Generative Ai Engineer
- Contractual Computational Geometry Developer
Post-Doctoral Research Associate: Department of Physics and Astronomy - UTK
Knoxville, TN • On-site
Full-time
Re-posted yesterday
University Of Tennessee, Knoxville rating
7.2
Based on 59 frontline employees who took The Breakroom Quiz
383rd of 617 rated colleges and universities
Job description
Job Summary:
The University of Tennessee, Knoxville is seeking a highly motivated Computational Researcher to join the Del Maestro group to work on challenging problems in quantum materials. The successful applicant will utilize advanced computational methods to model complex physical interactions and collaborate with team members to solve complex modeling challenges.
Responsibilities:
• Utilize advanced computational frameworks to model complex physical interactions and transport phenomena.
• Simulate materials and account for fundamental physical effects under a range of environmental conditions.
• Leverage modern computational techniques, including data-driven and machine learning models, to accurately represent atomic-level interactions and behaviors.
• Analyze large-scale simulation data to extract key dynamic properties, and material performance metrics.
• Work with, validate, and help maintain proprietary in-house software tools and computational infrastructure.
• Collaborate with team members to apply specialized expertise toward solving complex modeling challenges.
• Ensure compliance with environment, safety, health and quality program requirements.
• Maintain strong commitment to the implementation and perpetuation of values and ethics in scientific research.
Qualifications:
Required:
• Ph.D. in physics, chemistry, materials science, or a closely related field completed no later than 08/01/2026.
• An excellent track record of productive and creative research demonstrated by publications in peer reviewed journals.
• Strong verbal and writing skills.
• Demonstrated ability to work independently and collaboratively with team members, including experimental collaborators.
• Familiarity with atomistic (e.g. molecular dynamics, Monte Carlo) and/or ab initio (e.g. density functional theory) computational tools.
• High performance computing (e.g. slurm or other workload managers).
• Applicants must be legally authorized to work in the United States on a full-time basis without need now or in the future for sponsorship for employment-based visa status.
Preferred:
• Research experience in artificial intelligence for quantum systems/materials.
Company:
As the state’s land grant, research-intensive institution, the University of Tennessee, Knoxville, is a university that leads. Founded in 1794, the company is headquartered in Knoxville, TN, US, , with a team of 10001+ employees. The company is currently Late Stage.
The University of Tennessee, Knoxville is seeking a highly motivated Computational Researcher to join the Del Maestro group to work on challenging problems in quantum materials. The successful applicant will utilize advanced computational methods to model complex physical interactions and collaborate with team members to solve complex modeling challenges.
Responsibilities:
• Utilize advanced computational frameworks to model complex physical interactions and transport phenomena.
• Simulate materials and account for fundamental physical effects under a range of environmental conditions.
• Leverage modern computational techniques, including data-driven and machine learning models, to accurately represent atomic-level interactions and behaviors.
• Analyze large-scale simulation data to extract key dynamic properties, and material performance metrics.
• Work with, validate, and help maintain proprietary in-house software tools and computational infrastructure.
• Collaborate with team members to apply specialized expertise toward solving complex modeling challenges.
• Ensure compliance with environment, safety, health and quality program requirements.
• Maintain strong commitment to the implementation and perpetuation of values and ethics in scientific research.
Qualifications:
Required:
• Ph.D. in physics, chemistry, materials science, or a closely related field completed no later than 08/01/2026.
• An excellent track record of productive and creative research demonstrated by publications in peer reviewed journals.
• Strong verbal and writing skills.
• Demonstrated ability to work independently and collaboratively with team members, including experimental collaborators.
• Familiarity with atomistic (e.g. molecular dynamics, Monte Carlo) and/or ab initio (e.g. density functional theory) computational tools.
• High performance computing (e.g. slurm or other workload managers).
• Applicants must be legally authorized to work in the United States on a full-time basis without need now or in the future for sponsorship for employment-based visa status.
Preferred:
• Research experience in artificial intelligence for quantum systems/materials.
Company:
As the state’s land grant, research-intensive institution, the University of Tennessee, Knoxville, is a university that leads. Founded in 1794, the company is headquartered in Knoxville, TN, US, , with a team of 10001+ employees. The company is currently Late Stage.
What University Of Tennessee, Knoxville employees say
Pay
Benefits
Hours and flexibility
Workplace
Get the full story on Breakroom