ZipRecruiter

Log In

1

Freelance Molecular Dynamics Simulation Jobs (NOW HIRING)

1910

Computational Theoretical Chemist I

Boston, MA

Advances in big chemical data, massive computing power, artificial intelligence, and molecular dynamics simulations are changing the way we develop new drugs. At 1910 , we put computation at the ...

1910

Computational Theoretical Chemist I

Boston, MA · On-site

Advances in big chemical data, massive computing power, artificial intelligence, and molecular dynamics simulations are changing the way we develop new drugs. At 1910 , we put computation at the ...

1910

Computational Theoretical Chemist I

Boston, MA · On-site

Advances in big chemical data, massive computing power, artificial intelligence, and molecular dynamics simulations are changing the way we develop new drugs. At 1910 , we put computation at the ...

previous page

Showing results 41-60

All JobsMolecular Dynamics Simulation JobsFreelance Molecular Dynamics Simulation Jobs

Freelance Molecular Dynamics Simulation information

See salary details

$29

$62

$71

How much do freelance molecular dynamics simulation jobs pay per hour?

As of Aug 7, 2026, the average hourly pay for freelance molecular dynamics simulation in the United States is $62.54, according to ZipRecruiter salary data. Most workers in this role earn between $60.34 and $68.27 per hour, depending on experience, location, and employer.

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

To thrive as a Freelance Molecular Dynamics Simulation specialist, you need a solid background in physics, chemistry, or related fields, along with expertise in computational modeling and simulation methods. Proficiency with simulation software such as GROMACS, AMBER, or LAMMPS, and experience with programming languages like Python or C++, are typically required. Strong problem-solving skills, attention to detail, and effective communication are important soft skills for collaborating with clients and interpreting complex data. These abilities are crucial for delivering accurate, reliable results and building a successful freelance reputation in a technical, research-driven environment.

What is the difference between Freelance Molecular Dynamics Simulation vs Freelance Computational Chemist?

AspectFreelance Molecular Dynamics SimulationFreelance Computational Chemist
CredentialsKnowledge of molecular dynamics software, basic chemistry backgroundAdvanced chemistry education, experience with computational modeling
Work EnvironmentRemote, project-based, often collaborative with research teamsRemote or lab-based, research-focused projects
Industry UsagePharmaceuticals, materials science, biochemistryPharmaceuticals, chemical industry, academia
Search & ComparisonOften compared for specialized computational roles in molecular modelingBroader computational chemistry roles, less specialized

Freelance Molecular Dynamics Simulation focuses on simulating molecular interactions using specialized software, often requiring knowledge of physics and chemistry. Freelance Computational Chemist covers a broader range of computational modeling techniques in chemistry. While both roles involve remote work and scientific expertise, Molecular Dynamics Simulation is more specialized in dynamic simulations, whereas Computational Chemist may include various modeling approaches.

What are some common challenges faced by freelance molecular dynamics simulation professionals when working with clients from diverse scientific backgrounds?

Freelance molecular dynamics simulation professionals often collaborate with clients from a range of scientific disciplines, such as chemistry, biology, or materials science. One common challenge is effectively communicating complex simulation concepts and results to clients who may not have a deep computational background. Additionally, freelancers must adapt simulation protocols to fit specific client needs, project goals, and timelines, which can vary widely. Successful professionals are proactive in clarifying objectives, managing expectations, and providing clear, actionable data interpretations to ensure project success.

What does a freelance molecular dynamics simulation specialist do?

A Freelance Molecular Dynamics Simulation specialist uses computational techniques to model and analyze the physical movements of atoms and molecules. They help researchers and companies understand molecular interactions, predict material properties, or optimize drug designs by running simulations and interpreting the results. Their work often involves setting up simulations, customizing parameters, and using specialized software to generate insights for various scientific or engineering projects.
More about Freelance Molecular Dynamics Simulation jobs
What cities are hiring for Freelance Molecular Dynamics Simulation jobs? Cities with the most Freelance Molecular Dynamics Simulation job openings:
What are the most commonly searched types of Molecular Dynamics Simulation jobs? The most popular types of Molecular Dynamics Simulation jobs are:
What states have the most Freelance Molecular Dynamics Simulation jobs? States with the most job openings for Freelance Molecular Dynamics Simulation jobs include:
What job categories do people searching Freelance Molecular Dynamics Simulation jobs look for? The top searched job categories for Freelance Molecular Dynamics Simulation jobs are:
Freelance Molecular Dynamics Simulation jobs near you
Infographic showing various Freelance Molecular Dynamics Simulation job openings in the United States as of August 2026, with employment types broken down into 40% Full Time, and 60% Part Time. Highlights an 100% In-person job distribution, with an average salary of $130,079 per year, or $62.5 per hour.

Computational Theoretical Chemist I

1910

Boston, MA

Full-time

Re-posted 12 days ago

Job description

Computation is revolutionizing drug discovery. Advances in big chemical data, massive computing power, artificial intelligence, and molecular dynamics simulations are changing the way we develop new drugs. At 1910 , we put computation at the heart of drug discovery, blending expertise in computational chemistry, structural biology, pharmacology, data science, and software engineering to develop drugs for previously undruggable targets. 

Role Description 

  • Own computational theoretical chemistry programs across therapeutic modalities, disease targets, and indications 
  • Ensure effective collaboration with the Biology, and Medicinal Chemistry teams by providing key computational chemistry insights to aid in the Hit-to-Lead and Lead Optimization phases of drug discovery operations  
  • Ensure effective collaboration with the ML Engineering and AI Research team by providing key computational chemistry insights to aid in the development of AI/ML models for drug discovery as well as the incorporation of those models into drug discovery operations 
  • Teach key computational chemistry principles to your cross-disciplinary colleagues from Medicinal Chemistry, AI Research, Machine Learning Engineering, Cell Biology, and Pharmacology 
  • Partner to improve 1910's existing process for progressing from computational hit to experimental hit to lead to drug candidate 
  • Co-author provisional patents and peer-reviewed research papers  
  • Validate a cellular hit in a clinically relevant animal model of disease 
  • Update provisional patents with the animal model data 
  • Nominate a lead candidate for progression into IND-enabling studies 
  • Attend and present research at conferences and events related to computational modeling in drug discovery 

Qualifications 

  • Ph.D. in computational chemistry or related discipline 
  • In-depth knowledge and hands-on experience with quantum chemical (QC) methods, including semi-empirical and density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both standard MD and enhanced sampling techniques such as metadynamics, umbrella sampling, and replica exchange MD, free energy simulations such as FEP and TI, and QM/MM methodologies for small and large molecular systems 
  • Strong understanding of key concepts, including potential energy surfaces (PES), intermolecular and intramolecular forces/interactions, force fields, molecular properties, thermodynamic properties, solvation models (implicit/explicit), and conformational sampling 
  • Proficiency in analyzing molecular properties such as solvation free energy, dipole moments, vibrational frequencies, electrostatic potential, charge distribution, and more 
  • Deep knowledge of implicit and explicit solvent models, with extensive experience modeling solvent effects on molecular systems and chemical reactions in various environments 
  • Extensive experience in using and troubleshooting software tools for QC calculations (e.g., ORCA, xTB, CREST, etc.), MD simulations (e.g., GROMACS, OpenMM, etc.), Drug Design Development Packages (e.g., EG, Schrodinger, MOE, CRESSET) 
  • Experience working with HPC Clusters and cloud-based services like (e.g., Microsoft AZURE, AWS) 
  • Ability to optimize computational simulation protocols for efficient resource usage 
  • Proven experience working with small organic molecules and large biomolecular systems (e.g., peptides, proteins, etc.) for property prediction, conformational analysis, and structure-activity relationships (SAR) 
  • Hands-on experience with Python and Bash scripting for automating workflows and data analysis 
  • Familiarity with cheminformatics toolkits such as RDKit for molecular property prediction and data management 
  • Basic knowledge of machine learning (ML) techniques applied to molecular property prediction, virtual screening, and related tasks 
  • Strong desire to collaborate with AI scientists, data scientists, medicinal chemists, and biologists to interpret computational results and guide experimental design 
  • Clear and effective communication of complex scientific ideas through reports, presentations, and publications 

Nice to Haves 

  • Relevant industry experience via internship and co-op 
  • Publication records in computational chemistry related to drug discovery 

#LI-Onsite

Apply