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Molecular Dynamics Simulation Remote Jobs (NOW HIRING)

DLB Associates

CFD/Co-Simulation Engineer III

$104.74K/yr

Remote - work virtually from most locations in the United States Job Summary The Co-Simulation ... The role also includes computational fluid dynamics (CFD) modeling of the data center and its ...

Weekday AI

Software Engineer - Open 3D Engine

... and dynamic simulations using O3DE. • Work closely with customer stakeholders to ensure ... remote environment while effectively collaborating with the customer's team. Preferred ...

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

As of May 31, 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 are the key skills and qualifications needed to thrive as a Molecular Dynamics Simulation Remote specialist, and why are they important?

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 is a Molecular Dynamics Simulation Remote job?

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.
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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 May 2026, with employment types broken down into 65% Full Time, 15% Part Time, and 20% Contract. Highlights an 100% Remote job distribution, with an average salary of $123,399 per year, or $59.3 per hour.
Software Engineer II, Simulation, tvScientific

Software Engineer II, Simulation, tvScientific

Pinterest

San Francisco, CA • Remote

Other

Posted 4 days ago

Job description

About tvScientific

tvScientific is the first and only CTV advertising platform purpose-built for performance marketers. We leverage massive data and cutting-edge science to automate and optimize TV advertising to drive business outcomes. Our solution combines media buying, optimization, measurement, and attribution in one, efficient platform. Our platform is built by industry leaders with a long history in programmatic advertising, digital media, and ad verification who have now purpose-built a CTV performance platform advertisers can trust to grow their business.

We are seeking a Software Engineer to build out our simulation and AI capabilities. You'll design and implement systems that model the CTV advertising ecosystem - auction dynamics, bidding strategies, campaign outcomes, and counterfactual scenarios - and develop AI-driven tools that accelerate how we build, test, and deploy ML systems.


What you'll do:

  • Design and build simulation environments that model CTV auction mechanics, inventory supply, and advertiser competition
  • Develop counterfactual and what-if frameworks for evaluating bidding strategies, budget allocation, and pacing algorithms offline
  • Build AI agents that explore strategy spaces, generate hypotheses, and automate experimentation within simulated environments
  • Use simulation to de-risk ML model deployments - validate new bidding and optimization strategies before they touch live traffic
  • Define the technical direction for simulation and AI infrastructure and mentor engineers on the team


What we're looking for:

  • Systems programming experience in Zig or similar (C, C++, Rust)
  • Deep understanding of probabilistic modeling, stochastic processes, or agent-based simulation
  • Hands-on experience with modern AI tools: LLMs, code generation, agentic workflows - and good judgment about when they help vs. when they don't
  • Adtech experience: you understand RTB mechanics, and the dynamics of programmatic advertising
  • Ability to translate business questions ("what happens if we change our bid strategy?") into rigorous simulation frameworks
  • Clear written communication: you'll be defining new technical directions and need to bring others along
  • Ownership: you scope, design, and ship systems end-to-end with minimal direction
  • Demonstrated ability to use AI to improve speed and quality in your day-to-day workflow for relevant outputs
  • Strong track record of critical evaluation and verification of AI-assisted work (e.g., testing, source-checking, data validation, peer review)
  • High integrity and ownership: you protect sensitive data, avoid over-reliance on AI, and remain accountable for final decisions and deliverables.
  • Degree in a relevant field such as computer science, statistics, engineering, or equivalent experience.
  • Nice-to-Haves:
    • Strong production Python skills and experience building simulation or modeling systems
    • Causal inference - uplift modeling, synthetic controls, difference-in-differences, or incrementality testing
    • Experience with discrete event simulation, Monte Carlo methods, or digital twins
    • Reinforcement learning - using simulated environments for policy learning and evaluation
    • Experience building agentic AI systems or multi-agent simulations
    • Big data experience with Scala and Spark
    • MLOps experience - model deployment, monitoring, and pipeline orchestration on AWS

In-Office Requirement Statement:

  • We recognize that the ideal environment for work is situational and may differ across departments. What this looks like day-to-day can vary based on the needs of each organization or role.


Relocation Statement:

  • This position is not eligible for relocation assistance. Visit our PinFlex page to learn more about our working model.

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