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Senior Molecular Modeling Jobs (NOW HIRING)

Abbott

Sr. Clinical Curation Scientist

Marshfield, WI · On-site

Our molecular division delivers best-in-class innovative testing solutions for people around the ... Ability to act with an inclusion mindset and model these behaviors for the organization. * Ability ...

Abbott

Sr. Clinical Curation Scientist

Marshfield, WI · On-site

Our molecular division delivers best-in-class innovative testing solutions for people around the ... Ability to act with an inclusion mindset and model these behaviors for the organization. * Ability ...

University Of Florida

$85 - $120/hr

Biology/Life Science, Grant or Research Administration Department: 37044010 - SR-MM-BANNISTER LAB ... molecular modeling software. Health Assessment Required: Health Assessment Required: No. Advertised ...

New

University Of Florida

NY · On-site

$85 - $120/hr

Biology/Life Science, Grant or Research Administration Department: 37044010 - SR-MM-BANNISTER LAB ... molecular modeling software. Health Assessment Required: Health Assessment Required: No. Advertised ...

New

CEDENT

Senior Scientist

Branford, CT

$90K - $123K/yr

We're hiring a Senior or Principal Scientist to join our Biotherapeutics team's collaborative group ... Working knowledge of structure-activity relationships and/or molecular modeling is a plus

Cedent

Senior Scientist (Branford, CT)

Branford, CT · On-site

$90K - $123K/yr

We're hiring a Senior or Principal Scientist to join our Biotherapeutics team's collaborative group ... Working knowledge of structure-activity relationships and/or molecular modeling is a plus

CEDENT

Senior Scientist (Branford, CT)

Branford, CT · On-site

$90K - $123K/yr

We're hiring a Senior or Principal Scientist to join our Biotherapeutics team's collaborative group ... molecular modeling is a plus Experience with mammalian expression systems (e.g., CHO/HEK), cell ...

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Senior Molecular Modeling information

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$25K

$80.3K

$163.5K

How much do senior molecular modeling jobs pay per year?

As of Aug 20, 2026, the average yearly pay for senior molecular modeling in the United States is $80,287.00, according to ZipRecruiter salary data. Most workers in this role earn between $41,500.00 and $103,000.00 per year, depending on experience, location, and employer.

What does a senior molecular modeler do?

A Senior Molecular Modeler is a specialist who uses computer simulations and theoretical chemistry techniques to study and predict the structure, properties, and behavior of molecules. They often work in pharmaceutical, biotechnology, or materials science settings, helping to design new drugs or materials by modeling interactions at the molecular level. Their responsibilities include running simulations, analyzing data, developing new modeling methods, and collaborating with experimental scientists to interpret results. Senior roles also typically involve project leadership and mentoring of junior colleagues.

What are the key skills and qualifications needed to thrive as a senior molecular modeler?

To thrive as a Senior Molecular Modeler, you need advanced knowledge in computational chemistry, molecular modeling, and structural biology, typically supported by a PhD in a related field. Proficiency with software tools like Schrödinger, MOE, AMBER, and programming languages such as Python or R is essential. Strong problem-solving, communication, and collaborative skills help you effectively interpret results and work within multidisciplinary teams. These skills and qualities are crucial for driving innovative drug discovery and accurately predicting molecular interactions.

What are some typical challenges faced by senior molecular modeling professionals in cross-functional research teams?

Senior Molecular Modeling professionals often work closely with medicinal chemists, biologists, and data scientists, which can present challenges in translating complex computational findings into actionable insights for diverse teams. Balancing multiple project priorities and adapting modeling techniques to evolving research goals are common hurdles. Strong communication skills and a collaborative mindset are essential to bridge gaps between computational and experimental perspectives, ensuring that modeling results effectively guide experimental design and decision-making.

What is the difference between Senior Molecular Modeling vs Molecular Dynamics Specialist?

AspectSenior Molecular ModelingMolecular Dynamics Specialist
Required CredentialsBachelor's/Master's in Chemistry, Biochemistry, or related fields; experience with modeling softwareBachelor's/Master's in Chemistry, Physics, or related fields; strong background in simulation techniques
Work EnvironmentResearch labs, pharmaceutical companies, biotech firmsResearch labs, pharmaceutical companies, biotech firms
Industry UsageDesigning molecular structures, drug discovery, material scienceRunning molecular dynamics simulations, analyzing simulation data
Common Search/ComparisonOften compared due to overlapping skills in modeling software and research goalsSpecializes in dynamic simulations, but overlaps with modeling tasks

While both roles involve computational chemistry and software tools, Senior Molecular Modeling focuses on creating and analyzing molecular structures, whereas Molecular Dynamics Specialists primarily run and interpret dynamic simulations to understand molecular behavior over time.

What cities are hiring for Senior Molecular Modeling jobs?

Cities with the most Senior Molecular Modeling job openings:

What are the most commonly searched types of Molecular Modeling jobs?

The most popular types of Molecular Modeling jobs are:

What states have the most Senior Molecular Modeling jobs?

States with the most job openings for Senior Molecular Modeling jobs include:

Senior Molecular Modeling jobs near you

Senior Scientist, Computational Materials Solutions

Entegris

Danbury, CT • On-site

$93K - $127K/yr

Full-time

Medical, Dental, Vision, Retirement, PTO

Posted 9 days ago

Entegris rating

8.2

Company rating: 8.2 out of 10

Based on 40 frontline employees who took The Breakroom Quiz

89th of 542 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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