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Theoretical Computer Science Jobs in Brookline, MA

1910

Computational Theoretical Chemist I

Boston, MA · On-site

We hire top 1% talent to join our interdisciplinary team of scientists, engineers, researchers ... Own computational theoretical chemistry programs across therapeutic modalities, disease targets ...

1910

Computational Theoretical Chemist I

Boston, MA · On-site

We hire top 1% talent to join our interdisciplinary team of scientists, engineers, researchers ... Own computational theoretical chemistry programs across therapeutic modalities, disease targets ...

1910

Computational Theoretical Chemist I

Boston, MA · On-site

... science, and software engineering to develop drugs for previously undruggable targets. Role ... Own computational theoretical chemistry programs across therapeutic modalities, disease targets ...

IBM

Quantum algorithm developer

Cambridge, MA · On-site

... or theoretical computer science. - Postdoctoral research experience or completion of a graduate program with substantial focus on quantum algorithms, quantum complexity theory, or related areas.

1910

Computational Theoretical Chemist II

Boston, MA · On-site

We hire top 1% talent to join our interdisciplinary team of scientists, engineers, researchers ... theory (DFT) approaches, molecular dynamics (MD) simulations, including both standard MD and ...

STR

Senior Tracking Scientist

Woburn, MA

$139K - $165K/yr

... computer science, or data science * Experience with tracking technologies and estimation theory / statistics * Experience with C++ programming language * Ability to perform experiment design ...

Bridge Tech

Data Scientist Opportunity

Boston, MA

D. in Computer Science, Operations Research, Physics, Electrical Engineering, Mathematics or other ... utility theory, game theory a plus Additional Information All your information will be kept ...

STR

Senior Research Scientist - Machine Leaning

Woburn, MA · On-site

$139K - $165K/yr

... computer science, mathematics, physics, and data science. We use our expertise and creativity to ... theory algorithms for signals exploitation, target tracking, predictive analytics, and system ...

Bridge Tech

Data Scientist Opportunity

Boston, MA · On-site

D. in Computer Science, Operations Research, Physics, Electrical Engineering, Mathematics or other ... utility theory, game theory a plus Additional Information All your information will be kept ...

STR

Data Scientist (CLEARANCE REQUIRED)

Woburn, MA · On-site

$110K - $138K/yr

... computer science, mathematics, physics, and data science. We use our expertise and creativity to ... theory algorithms for signals exploitation, target tracking, predictive analytics, and system ...

STR

Lead Research Scientist - Machine Learning

Woburn, MA · On-site

$174K - $220K/yr

... computer science, mathematics, physics, and data science. We use our expertise and creativity to ... theory algorithms for signals exploitation, target tracking, predictive analytics, and system ...

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All JobsTheoretical Computer Science JobsTheoretical Computer Science Jobs in Brookline, MA

Theoretical Computer Science information

See Brookline, MA salary details

$11.9K

$137K

$185K

How much do theoretical computer science jobs pay per year?

As of Aug 20, 2026, the average yearly pay for theoretical computer science in Brookline, MA is $136,983.00, according to ZipRecruiter salary data. Most workers in this role earn between $99,500.00 and $165,500.00 per year, depending on experience, location, and employer.

What is a theoretical computer science?

A Theoretical Computer Science job focuses on studying the fundamental principles of computation, algorithms, complexity, and mathematical models of computing. Professionals in this field work on problems related to computational efficiency, cryptography, machine learning theory, and formal methods. They often conduct research in academia, develop new algorithms, or contribute to cutting-edge technology in industry. These roles typically require strong mathematical skills and expertise in logic, discrete mathematics, and algorithm design.

What are typical responsibilities for someone working in theoretical computer science?

Theoretical Computer Science professionals often spend their days conducting original research, developing new algorithms, and analyzing computational problems from a mathematical perspective. They may collaborate closely with other researchers in interdisciplinary teams, attend academic conferences, and contribute to scholarly publications. While much of the work is individual and highly focused, regular interaction with collaborators and the broader academic community is common. This role can also involve mentoring students and engaging in peer review, making it both intellectually stimulating and highly collaborative.

What are the key skills and qualifications needed to thrive in theoretical computer science, and why are they important?

To thrive in Theoretical Computer Science, a strong background in mathematics, algorithms, and computational theory is essential, usually backed by an advanced degree such as a master's or PhD in computer science or a related field. Familiarity with formal verification tools, mathematical modeling software, and programming languages like Python or C++ is often required. Critical thinking, analytical reasoning, and effective written communication are standout soft skills for this role. These competencies are vital for developing rigorous proofs, articulating complex concepts, and contributing meaningful insights to the field.

Is theoretical computer science useful?

Theoretical computer science is useful for understanding fundamental principles of algorithms, computation, and data structures, which underpin many practical applications in software development, cryptography, and artificial intelligence. It provides a strong foundation for roles involving research, algorithm design, and advanced problem-solving, often requiring skills in mathematics and programming languages. This knowledge can lead to careers in academia, industry research, and technology innovation.

What jobs can you do with theoretical computer science?

Theoretical computer science graduates can pursue roles such as research scientists, algorithms engineers, cryptographers, and data scientists. These positions often require strong analytical skills, programming knowledge, and understanding of computational complexity and algorithms. They are commonly found in academia, technology companies, cybersecurity firms, and research institutions.

What job categories do people searching Theoretical Computer Science jobs in Brookline, MA look for?

The top searched job categories for Theoretical Computer Science jobs in Brookline, MA are:

Theoretical Computer Science jobs near you
Infographic showing various Theoretical Computer Science job openings in Brookline, MA as of August 2026, with employment types broken down into 1% As Needed, 76% Full Time, 17% Part Time, 3% Temporary, 2% Contract, and 1% Nights. Highlights an 76% Physical, 2% Hybrid, and 22% Remote job distribution, with an average salary of $136,983 per year, or $65.9 per hour.

Computational Theoretical Chemist I

1910

Boston, MA • On-site

Full-time

PTO

Re-posted 26 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 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
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