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Computational Software Developer Jobs in Massachusetts

1910

Computational Theoretical Chemist II

Boston, MA · On-site

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 ...

1910

Computational Theoretical Chemist II

Boston, MA

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 ...

Dell

Software Principal Engineer

Hopkinton, MA

$148K - $198K/yr

The Developer Experience organization within ISG is responsible for developer productivity, tooling ... computational workloads, integrate across the stack, protect data continuity, and deliver the ...

1910

Computational Theoretical Chemist I

Boston, MA · On-site

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 ...

1910

Computational Theoretical Chemist III

Boston, MA · On-site

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 ...

OPT Industries, Inc.

Computational Design

Medford, MA · On-site

$80K - $120K/yr

Working at the intersection of automation engineering, computational design and polymer science, we ... You will work on new and existing product lines using our proprietary software and hardware ...

Danaher

Students graduating in 2026 or later with a Bachelor's degree in Computer Science, Software Engineering, Biomedical Engineering (with computational focus), or related field * Preference for students ...

Danaher

Software Engineer Internships

Babson Park, MA · On-site

Students graduating in 2026 or later with a Bachelor's degree in Computer Science, Software Engineering, Biomedical Engineering (with computational focus), or related field * Preference for students ...

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Showing results 21-40

All JobsComputational Software Developer JobsComputational Software Developer Jobs in Massachusetts

Computational Software Developer information

See Massachusetts salary details

$52.4K

$122.1K

$181.3K

How much do computational software developer jobs pay per year?

As of Aug 6, 2026, the average yearly pay for computational software developer in Massachusetts is $122,149.00, according to ZipRecruiter salary data. Most workers in this role earn between $98,300.00 and $142,000.00 per year, depending on experience, location, and employer.

What is a computational software developer?

A Computational Software Developer is a professional who designs, develops, and maintains software systems that perform complex mathematical, scientific, or engineering computations. They often work in fields such as scientific research, engineering, finance, and data analysis, creating tools that simulate processes, analyze data, or solve computational problems. These developers typically possess strong programming skills in languages like Python, C++, or MATLAB, and have a solid understanding of algorithms, mathematics, and domain-specific knowledge relevant to their projects.

What are the key skills and qualifications needed to thrive as a computational software developer, and why are they important?

To thrive as a Computational Software Developer, you need strong programming skills (often in languages like Python, C++, or Java), a solid understanding of algorithms, and typically a degree in computer science, mathematics, or a related field. Familiarity with computational libraries (such as NumPy, SciPy, or TensorFlow), version control systems like Git, and experience with high-performance or parallel computing are commonly required. Analytical thinking, problem-solving abilities, and effective teamwork are vital soft skills for excelling in this role. These skills and qualities enable developers to create robust, efficient computational solutions and collaborate effectively within multidisciplinary teams.

What are some common challenges faced by computational software developers, and how can they be addressed?

Computational Software Developers often encounter challenges such as optimizing code for high-performance computing, ensuring numerical accuracy, and integrating complex algorithms with existing systems. These challenges can be addressed by staying up-to-date with the latest computational techniques, collaborating closely with domain experts, and utilizing profiling tools to identify performance bottlenecks. Regular code reviews and testing are also essential to maintain reliability and foster knowledge sharing within multidisciplinary teams.
What are popular job titles related to Computational Software Developer jobs in Massachusetts? For Computational Software Developer jobs in Massachusetts, the most frequently searched job titles are:
What job categories do people searching Computational Software Developer jobs in Massachusetts look for? The top searched job categories for Computational Software Developer jobs in Massachusetts are:
Computational Software Developer jobs near you
Infographic showing various Computational Software Developer job openings in Massachusetts as of July 2026, with employment types broken down into 25% Internship, 69% Full Time, and 6% Part Time. Highlights an 100% In-person job distribution, with an average salary of $122,149 per year, or $58.7 per hour.

Computational Theoretical Chemist II

1910

Boston, MA • On-site

Full-time

PTO

Re-posted 12 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