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Molecular Dynamics Simulation Remote Jobs (NOW HIRING)

The Pennsylvania State University

Approval of remote and hybrid work is not guaranteed regardless of work location.For additional ... ReaxFF-based molecular dynamics simulations * The candidate must have earned a Ph.D. in Mechanical ...

Deep Origin

Senior Scientific Developer

Familiarity with molecular simulation ecosystems: force fields, system preparation, alchemical free ... molecular dynamics, cheminformatics, and related computational biology workflows. * Build and ...

The Pennsylvania State University

Approval of remote and hybrid work is not guaranteed regardless of work location.For additional ... Perform and analyze ReaxFF reactive molecular dynamics (MD) simulations on nitride material growth

SES

Computational Materials Scientist

Woburn, MA · On-site +1

$180K - $200K/yr

Atomistic Modeling & Simulation * Conduct and oversee DFT (Density Functional Theory), MD (Molecular Dynamics), and QM (Quantum Mechanics) simulations of battery components, including electrolytes ...

Rescale

Customer Success Engineer - Remote in the US

$110K - $150K/yr

... Molecular Dynamics, Weather Forecasting, Computational Chemistry, Reservoir (Seismic) Simulation, Media Rendering, Machine Learning, Financial etc) * Experience with enterprise customers in one or ...

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Molecular Dynamics Simulation Remote information

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$39K

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$190.5K

How much do molecular dynamics simulation remote jobs pay per year?

As of Aug 25, 2026, the average yearly pay for molecular dynamics simulation remote in the United States is $123,399.00, according to ZipRecruiter salary data. Most workers in this role earn between $92,000.00 and $146,500.00 per year, depending on experience, location, and employer.

What is a molecular dynamics simulation remote?

A Molecular Dynamics Simulation Remote job involves using computational methods to simulate and analyze the physical movements of atoms and molecules, typically in the fields of chemistry, biology, or materials science. These roles are performed remotely, allowing professionals to work from anywhere while running simulations, analyzing data, and collaborating with research teams online. Key responsibilities often include setting up simulations, interpreting results, writing reports, and sometimes developing new algorithms or software tools. Remote positions require strong technical skills, proficiency in simulation software, and effective communication abilities to coordinate with other researchers or stakeholders. This job is ideal for individuals who are detail-oriented, self-motivated, and comfortable working independently.

What are the key skills and qualifications needed to thrive as a molecular dynamics simulation remote specialist?

To thrive as a Molecular Dynamics Simulation Remote specialist, you need a strong background in computational chemistry, physics, or related fields, often supported by an advanced degree. Proficiency with simulation software like GROMACS, AMBER, or LAMMPS, and experience with high-performance computing environments, are typically required. Excellent analytical thinking, problem-solving abilities, and effective remote communication skills help you stand out in collaborative research projects. Mastery of these skills ensures accurate modeling, efficient project execution, and productive teamwork across distributed research environments.

What are some common challenges faced when working remotely as a molecular dynamics simulation specialist, and how can they be addressed?

Working remotely in Molecular Dynamics Simulation often involves challenges such as managing access to high-performance computing resources, collaborating effectively with team members across time zones, and maintaining clear communication regarding simulation objectives and results. To address these, it's helpful to become proficient with remote desktop tools, secure VPNs, and cloud-based computing platforms. Regular virtual meetings and thorough documentation can ensure that projects stay on track and everyone remains aligned on research goals. Building a structured workflow and fostering open communication with colleagues are key to overcoming remote work hurdles in this field.

What are the applications of molecular dynamics simulation?

Molecular dynamics simulation is used by professionals in the field to study the behavior of molecules and materials at an atomic level, aiding in drug design, materials development, and understanding biological processes. It helps predict molecular interactions, stability, and properties, often utilizing specialized software and high-performance computing resources.
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Molecular Dynamics Simulation Remote jobs near you
Infographic showing various Molecular Dynamics Simulation Remote job openings in the United States as of August 2026, with employment types broken down into 100% Full Time. Highlights an 100% Remote job distribution, with an average salary of $123,399 per year, or $59.3 per hour.

Molecular Dynamics and Aerospace Engineer

Booz Allen Hamilton, Inc.

Houston, TX • On-site, Remote

$86K - $198K/yr

Full-time, Part-time

Medical, Life, Retirement, PTO

Posted 25 days ago

Booz Allen Hamilton rating

8.9

Company rating: 8.9 out of 10

Based on 49 frontline employees who took The Breakroom Quiz

10th of 72 rated business consultants

Job description


Remote Work:
Hybrid
Job Number:
R0245803
Location:
Houston,TX,US
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Molecular Dynamics and Aerospace Engineer
The Opportunity:
You will support the client by tackling the challenges of contamination of spacecraft and other assets by modeling the complex interactions between dust particles, the space environment, and spacecraft. To do so, they develop and use advanced computational modeling tools and techniques.
As a molecular dynamics and granular mechanics simulation engineer on the Team, you will be responsible for developing particle-scale physics models that resolve contact mechanics, cohesion, and fragmentation across regolith and contaminant populations. This work centers on building MD or DEM frameworks capable of capturing wheel-regolith interactions. As a senior engineer, you will architect and implement computational approaches, guide strategy, and mentor junior staff.
Join us. The world can't wait.
You Have:
  • 6+ years of experience of modeling and simulation of physical phenomena, systems using molecular dynamics (MD), or discrete element method (DEM)
  • Experience developing MD or DEM simulation frameworks
  • Experience developing and maintaining software to implement analytical and computational models
  • Experience programming in Python or C++
  • Experience in data processing and statistical techniques
  • Experience with MD or DEM tools, such as LAMMPS, GROMACS, NAMD, or Ansys Rocky
  • Experience writing technical documentation or scientific publications
  • Ability to work in both a team and independent environment and take ownership of assigned tasks
  • Ability to obtain a Secret clearance
  • Master's degree in a Physics, Mechanical Engineering, Aerospace Engineering, Computer Science, Astronomy, Astrophysics, Applied Mathematics, Computational Physics, Computational Chemistry, Materials Science, or Biophysics field

Nice If You Have:
  • Experience modeling plasma or dust-plasma coupling
  • Experience coupling MD or DEM solvers to Eulerian computational fluid dynamics solvers.
  • Experience applying machine learning (ML) to solve engineering problems with modern ML frameworks such as PyTorch or Tensorflow
  • Experience developing simulations using NVIDIA Warp or CUDA Python
  • Experience working with Linux environments
  • Experience producing original research and working with U.S. Government clients
  • Experience of applications to granular mechanics
  • Possession of strong verbal and written communication skills
  • Secret clearance
  • Doctorate degree in Engineering or related field

Clearance:
Applicants selected will be subject to a security investigation and may need to meet eligibility requirements for access to classified information.
Compensation
At Booz Allen, we celebrate your contributions, provide you with opportunities and choices, and support your total well-being. Our offerings include health, life, disability, financial, and retirement benefits, as well as paid leave, professional development, tuition assistance, work-life programs, and dependent care. Our recognition awards program acknowledges employees for exceptional performance and superior demonstration of our values. Full-time and part-time employees working at least 20 hours a week on a regular basis are eligible to participate in Booz Allen's benefit programs. Individuals that do not meet the threshold are only eligible for select offerings, not inclusive of health benefits. We encourage you to learn more about our total benefits by visiting the Resource page on our Careers site and reviewing Our Employee Benefits page.
Salary at Booz Allen is determined by various factors, including but not limited to location, the individual's particular combination of education, knowledge, skills, competencies, and experience, as well as contract-specific affordability and organizational requirements. The projected compensation range for this position is $86,900.00 to $198,000.00 (annualized USD). The estimate displayed represents the typical salary range for this position and is just one component of Booz Allen's total compensation package for employees. This posting will close within 90 days from the Posting Date.
Identity Statement
As part of the hiring process, we will ask you to complete an identity verification process that leverages advanced biometrics and artificial intelligence to ensure authenticity and protect against identity fraud. You are expected to be on camera during interviews and assessments. We reserve the right to take your picture to verify your identity and prevent fraud.
Candidate AI Usage Policy
AI is a part of our daily work at Booz Allen, and we are committed to the responsible and ethical use of AI tools. However, we want to ensure a fair candidate process based on your own skills and knowledge. As part of this commitment, the use of artificial intelligence (AI) or other tools to assist with responses during interviews (whether in-person or virtual) is prohibited unless permission is explicitly provided.
Work Model
Our people-first culture prioritizes the benefits of collaboration, whether it occurs in person or virtually. To support engagement and effective communication, employees working virtually are generally expected to have their cameras on during meetings.
  • Remote: If this position is listed as remote, there may still be occasions when you are required to work in person at a Booz Allen or customer facility.
  • Hybrid: If this position is listed as hybrid, you will be expected to work from a Booz Allen facility frequently, in alignment with leadership expectations and the needs of the role. You may also be required to work from or visit a customer facility.
  • Onsite: If this position is listed as onsite, work will primarily be performed at a Booz Allen office or customer facility, where employees will collaborate directly with colleagues and customers as required by the role.

Commitment to Non-Discrimination
All qualified applicants will receive consideration for employment without regard to disability, status as a protected veteran or any other status protected by applicable federal, state, local, or international law.
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About Booz Allen Hamilton

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Booz Allen Hamilton is a leading provider of management and technology consulting services to the US government in defense, intelligence, and civil markets. Headquartered in McLean, Virginia, the firm also serves major corporations, institutions, and not-for-profit organizations. Founded in 1914 by Edwin G. Booz, the company has a long-standing tradition of helping clients achieve success by delivering a wide range of consulting services that include strategic planning, human capital and learning, communication, systems development, and others. The company's mission is to empower people to change the world, and it has a reputation for maintaining the highest standards of integrity and-excellence.

Industry

It services

Company size

10,000+ Employees

Headquarters location

McLean, VA, US

Year founded

1914

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