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Temporary Molecular Dynamics Simulation Jobs (NOW HIRING)

1910

Computational Theoretical Chemist II

Boston, MA · On-site

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

1910

Computational Theoretical Chemist III

Boston, MA · On-site

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

1910

Computational Theoretical Chemist II

Boston, MA

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

UNC-Chapel Hill

Open Rank

Chapel Hill, NC

... and molecular dynamics simulations) is required. The successful candidate will develop a research program characterizing how genetic variants of neuroreceptors modulate medication binding and ...

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 ...

Topos Bio

Computational Chemist

San Francisco, CA · On-site

Design and run molecular dynamics simulations, applying enhanced sampling methods to characterize protein-ligand binding and conformational dynamics * Engineer and optimize data pipelines that handle ...

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 ...

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Temporary Molecular Dynamics Simulation information

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$11K

$80.7K

$103.5K

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

As of Jun 9, 2026, the average yearly pay for temporary molecular dynamics simulation in the United States is $80,687.00, according to ZipRecruiter salary data. Most workers in this role earn between $69,000.00 and $98,500.00 per year, depending on experience, location, and employer.

What is a Temporary Molecular Dynamics Simulation job?

A Temporary Molecular Dynamics Simulation job typically involves using computational techniques to model and study the behavior of molecules over time, often for research or industrial projects. These roles are usually short-term positions, such as internships or project-based contracts, where individuals work with specialized software to run simulations, analyze data, and interpret the results to understand molecular interactions. Candidates usually have a background in chemistry, physics, or related fields and are familiar with simulation tools like GROMACS or AMBER. The work may support academic research, pharmaceutical development, or materials science initiatives.

What are some typical challenges faced when working on temporary molecular dynamics simulation projects?

Temporary roles in molecular dynamics simulation often present challenges such as quickly adapting to existing codebases, understanding project-specific protocols, and meeting tight deadlines. You may be required to collaborate with interdisciplinary teams, including computational chemists, physicists, and software engineers, which demands strong communication skills. Additionally, troubleshooting simulation errors and ensuring reproducibility of results are common hurdles. However, these experiences provide valuable opportunities to expand your technical skills and network within the field.

What are the key skills and qualifications needed to thrive as a Molecular Dynamics Simulation Specialist, and why are they important?

To thrive as a Molecular Dynamics Simulation Specialist, you need a strong background in physics, chemistry, or related fields, along with experience in computational modeling and simulation techniques. Familiarity with software like GROMACS, AMBER, or LAMMPS, as well as programming skills in Python or C++, are typically required. Analytical thinking, attention to detail, and effective communication are vital soft skills for interpreting results and collaborating with multidisciplinary teams. These skills ensure accurate simulations, meaningful data analysis, and successful project outcomes in both research and industry settings.

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

AspectTemporary Molecular Dynamics SimulationComputational Chemist
Required CredentialsBachelor's or Master's in Chemistry, Physics, or related field; experience with simulation softwareDegree in Chemistry, Chemical Engineering, or related; proficiency in computational tools
Work EnvironmentResearch labs, academic institutions, industry R&DResearch labs, pharmaceutical companies, academia
Industry UsageUsed for modeling molecular behavior over short periodsBroader role including modeling, data analysis, and interpretation
Common Search/ComparisonOften compared for job scope and skills requiredRelated but broader in scope

Temporary Molecular Dynamics Simulation focuses on short-term modeling of molecular systems, often using specialized software. Computational Chemist has a broader role involving various computational techniques to analyze chemical systems. Both roles require similar educational backgrounds and work environments, but their scope and application differ.

More about Temporary Molecular Dynamics Simulation jobs
What cities are hiring for Temporary Molecular Dynamics Simulation jobs? Cities with the most Temporary 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 Temporary Molecular Dynamics Simulation jobs? States with the most job openings for Temporary Molecular Dynamics Simulation jobs include:
What job categories do people searching Temporary Molecular Dynamics Simulation jobs look for? The top searched job categories for Temporary Molecular Dynamics Simulation jobs are:
Temporary Molecular Dynamics Simulation jobs near you
Infographic showing various Temporary Molecular Dynamics Simulation job openings in the United States as of June 2026, with employment types broken down into 25% Full Time, and 75% Part Time. Highlights an 66% Physical, 1% Hybrid, and 33% Remote job distribution, with an average salary of $80,687 per year, or $38.8 per hour.

Computational Theoretical Chemist II

1910

Boston, MA • On-site

Full-time

PTO

Posted 14 days ago

Job description

Company Overview
We are the only AI-native biotech, pioneering small and large molecule therapeutics discovery by integrating massive multimodal data, frontier AI models, and high-throughput lab automation into an infrastructure for AI-enabled drug discovery.
We hire top 1% talent to join our interdisciplinary team of scientists, engineers, researchers, operators, innovators, drug developers, business professionals, and technologists.
Join us to build the world's first AI infrastructure for tech-enabled drug discovery and to deliver a pipeline of diverse drug modalities for all major disease areas.
Computation is revolutionizing drug discovery. Advances in big chemical data, massive computing power, artificial intelligence, and molecular dynamics simulation 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 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
  • Progress a virtual hit to a biochemical/cellular hit
  • 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
  • 2 years of relevant industry experience within drug discovery or biotechnology
  • Played a key role in advancing a drug discovery program from early research phases to clinical development
  • 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
  • Publications in computational chemistry related to drug discovery

#LI-Onsite
Diversity and Inclusion (1910's Promise)
At 1910, we believe that a diverse, equitable, and inclusive workplace furthers relevance, resilience, and longevity. We encourage people from all backgrounds, ages, abilities, and experiences to apply. 1910 is proud to be an equal-opportunity workplace and is an affirmative action employer. We are committed to equal employment opportunity regardless of race, color, ancestry, religion, sex, national origin, sexual orientation, age, citizenship, marital status, disability, gender identity, or Veteran status. If, due to a disability, you need an accommodation during any part of the interview process, please let your recruiter know. While 1910 supports visa sponsorship, sponsorship opportunities may be limited to certain roles and skills.
Benefits and Perks
  • Competitive compensation package
  • Above market benefits
  • Generous vacation and parental leave
  • Super cool team building activities
  • Great colleagues

Apply