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Machine Learning Computational Chemistry Jobs in Connecticut

Varsity Tutors

Physical Chemistry Tutor

Norwalk, CT · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

Varsity Tutors

Physical Chemistry Tutor

New Haven, CT · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

Varsity Tutors

Physical Chemistry Tutor

Stamford, CT · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

Varsity Tutors

Physical Chemistry Tutor

Bridgeport, CT · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

Varsity Tutors

Physical Chemistry Tutor

Hartford, CT · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

Pfizer

Senior ML/AI Cheminformatics Scientist

Groton, CT · On-site

$93K - $156K/yr

In this role, you will develop, deploy, and continuously improve machine learning models for ... Relevant Master's degree with 2+ years of experience in Cheminformatics, Computational Chemistry ...

Varsity Tutors

High School Chemistry Tutor

New Haven, CT · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Emphasizes building chemical intuition alongside computational skills and connects chemistry to ...

Varsity Tutors

High School Chemistry Tutor

Stamford, CT · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Emphasizes building chemical intuition alongside computational skills and connects chemistry to ...

Varsity Tutors

High School Chemistry Tutor

Norwalk, CT · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Emphasizes building chemical intuition alongside computational skills and connects chemistry to ...

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All JobsMachine Learning Computational Chemistry JobsMachine Learning Computational Chemistry Jobs in Connecticut

Machine Learning Computational Chemistry information

See Connecticut salary details

$24.6K

$114.9K

$212.3K

How much do machine learning computational chemistry jobs pay per year?

As of Aug 23, 2026, the average yearly pay for machine learning computational chemistry in Connecticut is $114,881.00, according to ZipRecruiter salary data. Most workers in this role earn between $77,277.00 and $155,056.00 per year, depending on experience, location, and employer.

What is machine learning computational chemistry?

Machine learning computational chemistry is a field that combines machine learning techniques with computational chemistry to accelerate the discovery and design of molecules and materials. By training algorithms on large datasets of chemical information, researchers can predict molecular properties, simulate chemical reactions, and optimize compounds more efficiently than traditional methods. This approach helps reduce the time and cost required for research in drug discovery, materials science, and related fields.

What are some common challenges faced by professionals working in machine learning computational chemistry roles?

One common challenge in Machine Learning Computational Chemistry roles is integrating large and often complex chemical datasets with appropriate machine learning models, which requires a solid understanding of both domains. Professionals may also encounter difficulties in ensuring that their models are both interpretable and generalizable to new data, as overfitting is a frequent issue. Additionally, collaboration with chemists and data scientists is essential, so clear communication across disciplines is key to success. Staying up to date with the latest developments in both computational chemistry and machine learning is crucial for ongoing professional growth.

What are the key skills and qualifications needed to thrive as a machine learning computational chemist, and why are they important?

To thrive as a Machine Learning Computational Chemist, you need a solid background in chemistry, mathematics, and computer science, typically supported by an advanced degree in computational chemistry, cheminformatics, or a related field. Proficiency with programming languages (such as Python), machine learning frameworks (like TensorFlow or PyTorch), and molecular modeling software is essential. Strong analytical thinking, problem-solving skills, and effective collaboration are key soft skills that help drive innovation and teamwork. These skills and qualifications are critical for developing accurate models, advancing research, and translating computational insights into real-world chemical solutions.

What is the difference between Machine Learning Computational Chemistry vs Computational Chemist?

AspectMachine Learning Computational ChemistryComputational Chemist
Required CredentialsAdvanced degrees in chemistry, computer science, or related fields; knowledge of machine learning and programmingDegree in chemistry, chemical engineering, or related fields; strong background in chemical theory and modeling
Work EnvironmentResearch labs, tech companies, academia; focus on algorithm development and data analysisLaboratories, research institutions, industry; focus on chemical modeling and simulation
Employer & Industry UsageTech firms, pharmaceutical companies, research institutions applying AI/ML techniquesPharmaceutical, chemical, and materials industries conducting chemical research and development

Machine Learning Computational Chemists specialize in applying machine learning algorithms to chemical data, enhancing predictive models and simulations. Computational Chemists focus on traditional chemical modeling and simulations using computational methods. Both roles require strong chemistry backgrounds, but Machine Learning Computational Chemists emphasize data science and AI skills, while Computational Chemists focus on chemical theory and modeling techniques.

What are popular job titles related to Machine Learning Computational Chemistry jobs in Connecticut?

For Machine Learning Computational Chemistry jobs in Connecticut, the most frequently searched job titles are:

What job categories do people searching Machine Learning Computational Chemistry jobs in Connecticut look for?

The top searched job categories for Machine Learning Computational Chemistry jobs in Connecticut are:

What cities in Connecticut are hiring for Machine Learning Computational Chemistry jobs?

Cities in Connecticut with the most Machine Learning Computational Chemistry job openings:

Machine Learning Computational Chemistry jobs near you

Senior Scientist, Computational Materials Solutions

Entegris

Danbury, CT • On-site

$93K - $127K/yr

Full-time

Medical, Dental, Vision, Retirement, PTO

Posted 11 days ago

Entegris rating

8.2

Company rating: 8.2 out of 10

Based on 40 frontline employees who took The Breakroom Quiz

87th of 544 rated manufacturers

Job description

Job Title:
Senior Scientist, Computational Materials Solutions
Job Description:
The Role
Entegris is currently seeking a Senior Scientist, Computational Materials Solutions to join our Digital Innovation Team in the Technology and Innovation organization within our Materials Solutions (MS) business. This position will be remote.
This role focuses on accelerating innovation by combining computational science, machine learning, and domain expertise to deepen scientific understanding, guide experimentation, and translate research breakthroughs into scalable technologies for Molecular & Engineering Solutions (MES) business unit. You will translate MES business and technology priorities into actionable computational approaches, including molecular and materials modeling, predictive simulation, statistical and hybrid methods, and scientific data analysis. You will work in close partnership with experimental scientists, engineers, R&D leaders, and cross-functional technology teams to develop solutions that inform materials design, process development, product performance, and next generation technologies. The ideal candidate brings deep quantitative rigor, curiosity-driven problem solving, and the ability to bridge theory, data, and experimentation.
What You'll Do
  • Develop and apply molecular, statistical and computational, chemistry-informed solutions to investigate material behavior, process mechanisms, and guide materials design.

  • Support MES product and technology development programs through AI/ML, predictive simulations, structure-property analysis, design-of-experiments support, optimization, and reusable computational workflows.

  • Integrate simulation data, experimental results, and domain knowledge to support hypothesis generation, experiment prioritization, and model-based interpretation of R&D results.

  • Perform model calibration, verification, validation, sensitivity analysis, and uncertainty quantification to build scientific confidence in computational recommendations.

  • Translate computational outputs into actionable guidance for MES scientists, engineers, and leaders, including clear communication of assumptions, limitations, uncertainty, and decision implications.

  • Build reusable solution libraries, workflows, documentation, and technical knowledge assets that can be applied across MES priorities and broader Materials Division R&D needs.

  • Communicate modeling assumptions, results, and insights clearly to technical and non-technical stakeholders. Document methods and results in technical reports, internal publications, and knowledge repositories.

What We Seek
  • M.S. or Ph.D. in Chemistry, Materials Science, Physics, Engineering, or related scientific discipline.

  • Strong foundation in computational materials science, computational chemistry, molecular modeling, statistics, scientific computing, and simulation

  • Experience supporting research, experimentation, or early-stage technology development.

  • Ability to connect computational results to physical or chemical mechanisms and translate those results into practical R&D decisions.

  • Working knowledge of model verification, validation, uncertainty quantification, documentation, simulation data management, model reuse, and lifecycle governance.

  • Hands-on experience developing computational, simulation, or data-driven solutions using Python and scientific libraries such as NumPy, pandas, scikit-learn, PyTorch, TensorFlow, or related tools.

  • Strong collaboration, stakeholder-management, and communication skills with the ability to present complex technical work clearly to scientific, engineering, and business audiences.

Preferred Qualifications
  • 1-3 years of experience in materials science, chemistry, semiconductor, life sciences, energy, or advanced manufacturing R&D.

  • Demonstrated success combining experimental data with modeling and AI to guide discovery or development.

  • Experience with design-of-experiments (DoE), optimization, or Bayesian methods.

  • Familiarity with visualization, notebooks, or technical storytelling for R&D audiences.

  • Publications, patents, or significant internal research contributions.

Why Work at Entegris
Lead. Inspire. Innovate. Define Your Future.
Not everyone who works for a global company shares the same background, experiences and perspectives. We leverage the differences of our employees to bring new ideas to the table. Every employee throughout the company is encouraged to share input on projects and initiatives. Our decision-making process is truly a collaborative effort as we realize there are leaders at every level of the organization. We put our values at the core of how we operate as an organization - not just when it's convenient, but in a lasting and meaningful way. We want the time and energy you spend here to have a positive impact on your life inside and outside of the office.
What We Offer
Our total rewards package goes above and beyond just a paycheck. Whether you're looking to build your career, improve your health, or protect your wealth, we offer generous benefits to help you achieve your goals.
  • Compensation: $100,500 - $125,500 per year range with actual pay dependent on candidate overall skills for the role
  • Generous 401(K) plan with an impressive employer match

  • Excellent health, dental and vision insurance packages to fit your needs

  • Flexible work schedule and 11 paid holidays a year

  • Paid time off (PTO) policy that empowers you to take the time you need to recharge

  • Education assistance to support your learning journey

  • Values-driven culture with colleagues that rally around People, Accountability, Creativity and Excellence

Entegris does not provide immigration-related sponsorship for this role. Do not apply for this role if you will need Entegris immigration sponsorship (e.g., H1B, TN, STEM OPT, etc.) now or in the future.
At Entegris we are committed to providing equal opportunity to all employees and applicants. Our policy is to recruit, hire, train, and reward employees for their individual abilities, achievements, and experience without regard to race, color, religion, sexual orientation, age, national origin, disability, marital or military status.

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