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Computational Modeling Jobs (NOW HIRING)

1910

Computational Theoretical Chemist II

Boston, MA · On-site

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 ...

1910

Computational Theoretical Chemist I

Boston, MA · On-site

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 ...

1910

Computational Theoretical Chemist III

Boston, MA · On-site

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 ...

Thea Energy

Computational Plasma Physicist

Kearny, NJ

$120K - $140K/yr

Perform data analysis, model validation, and provide insights into the physical mechanisms ... PhD in Plasma Physics, Computational Physics, Applied Physics, or a related field, or master ...

Thea Energy

Computational Plasma Physicist

Kearny, NJ · On-site

$120K - $140K/yr

Perform data analysis, model validation, and provide insights into the physical mechanisms ... PhD in Plasma Physics, Computational Physics, Applied Physics, or a related field, or master ...

Battelle

Computational Biologist

Columbus, OH · On-site

Job Summary We are seeking a Computational Biologist II with deep expertise in protein modeling and engineering. This requisition is focused on candidates who excel at computational protein design ...

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How much do computational modeling jobs pay per hour?

As of Jul 2, 2026, the average hourly pay for computational modeling in the United States is $54.93, according to ZipRecruiter salary data. Most workers in this role earn between $46.88 and $73.56 per hour, depending on experience, location, and employer.

What jobs in the US pay 300,000 a year?

In computational modeling, senior roles such as lead data scientist, quantitative analyst, or research scientist with extensive experience and advanced skills in programming, machine learning, and statistical analysis can reach or exceed a $300,000 annual salary. These positions often require advanced degrees, strong domain expertise, and may be found in finance, technology, or research institutions. Compensation varies based on industry, location, and level of responsibility.

What is a Computational Modeling job?

A Computational Modeling job involves developing and using mathematical models, simulations, and algorithms to analyze complex systems across various fields, such as engineering, physics, biology, and finance. Professionals in this role apply computational techniques to study real-world phenomena, predict outcomes, and optimize processes. They often work with programming languages, statistical methods, and high-performance computing to create accurate and efficient models.

Is 3D modeling a high paying job?

3D modeling can be a well-paying career, especially for experienced professionals working in industries like gaming, film, or product design. Salaries vary based on skill level, industry, location, and the complexity of projects, with advanced 3D modelers often earning higher wages and working with specialized software such as Blender or Maya.

What is the highest paying job in computational biology?

The highest paying roles in computational biology are often senior positions such as Director of Computational Biology or Principal Scientist, which can earn six-figure salaries. These roles typically require advanced degrees, extensive experience, and expertise in areas like machine learning, bioinformatics tools, and programming languages such as Python or R.

What are the key skills and qualifications needed to thrive in the Computational Modeling position, and why are they important?

To thrive in computational modeling, a strong background in mathematics, computer science, and domain-specific knowledge (such as engineering, physics, or biology) is essential, often supported by at least a bachelor's or master's degree in a related field. Familiarity with programming languages like Python, MATLAB, or R, as well as experience with simulation software and data analysis tools, is typically required. Strong problem-solving, analytical thinking, and effective communication skills set outstanding candidates apart. These abilities enable professionals to build accurate models, collaborate successfully with interdisciplinary teams, and translate complex results into actionable insights.

What does a typical day look like for someone working in computational modeling?

A typical day for a computational modeling professional often involves developing and refining mathematical or computer-based models, running simulations, and analyzing large datasets to draw meaningful conclusions. You’ll collaborate closely with domain experts, engineers, and researchers to ensure models accurately reflect real-world processes. The role may also involve presenting findings to stakeholders, troubleshooting code or software issues, and keeping up with new modeling techniques and industry advancements. This dynamic environment requires balancing independent problem-solving with teamwork and communication.

What is a computational modeler?

A computational modeler is a professional who develops and uses computer-based models to simulate complex systems or processes. They often work with programming languages, mathematical algorithms, and data analysis tools to create accurate representations for research, engineering, or scientific purposes.
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Computational Modeling jobs near you
Infographic showing various Computational Modeling job openings in the United States as of June 2026, with employment types broken down into 100% Full Time. Highlights an 50% In-person, and 50% Remote job distribution, with an average salary of $114,249 per year, or $54.9 per hour.

Computational Theoretical Chemist II

1910

Boston, MA • On-site

Full-time

PTO

Posted 7 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

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