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Molecular Simulation Jobs (NOW HIRING)

Schrödinger

Force Field Scientist

New York, NY · On-site

$120K - $145K/yr

A scientist who has applied molecular simulation and QM methods in model validation * A force field developer who is passionate about building next-generation classical force fields enhanced by ...

Schrodinger

Force Field Scientist

New York, NY · On-site

$120K - $145K/yr

A scientist who has applied molecular simulation and QM methods in model validation * A force field developer who is passionate about building next-generation classical force fields enhanced by ...

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Molecular Simulation information

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$11K

$80.7K

$103.5K

How much do molecular simulation jobs pay per year?

As of Aug 7, 2026, the average yearly pay for molecular simulation in the United States is $80,687.00, according to ZipRecruiter salary data. Most workers in this role earn between $69,000.00 and $98,500.00 per year, depending on experience, location, and employer.

What are the key skills and qualifications needed to thrive in molecular simulation?

To thrive in Molecular Simulation, you need a solid background in chemistry, physics, or computational science, often at the graduate level, with expertise in molecular modeling and statistical mechanics. Familiarity with industry-standard simulation software (such as GROMACS, AMBER, or CHARMM), programming languages (like Python or C++), and high-performance computing platforms is essential. Strong analytical thinking, attention to detail, and effective communication are valuable soft skills in this role. These competencies are crucial for accurately modeling molecular systems, interpreting results, and collaborating with multidisciplinary teams in research or industry settings.

What is a molecular simulation?

A Molecular Simulation job involves using computational techniques to model and analyze molecular systems at the atomic level. Professionals in this field apply physics-based algorithms and software to study material properties, chemical reactions, and biological processes. They work in industries such as pharmaceuticals, materials science, and energy to optimize product development and research. Strong skills in computational chemistry, physics, and programming are essential for this role.

What are some common challenges faced by professionals in molecular simulation?

Professionals in molecular simulation often encounter challenges such as optimizing computational workloads, troubleshooting simulation errors, and interpreting complex data outputs. Balancing the accuracy of simulations with computational efficiency can also be demanding, especially when working with large biomolecular systems or advanced algorithms. Additionally, staying abreast of rapidly evolving software tools and scientific methodologies requires ongoing learning and adaptation. Being able to collaborate with experimental scientists and clearly communicate results is important for integrating simulation findings into broader research projects.

More about Molecular Simulation jobs
What cities are hiring for Molecular Simulation jobs? Cities with the most Molecular Simulation job openings:
What are the most commonly searched types of Molecular Simulation jobs? The most popular types of Molecular Simulation jobs are:
What states have the most Molecular Simulation jobs? States with the most job openings for Molecular Simulation jobs include:
What job categories do people searching Molecular Simulation jobs look for? The top searched job categories for Molecular Simulation jobs are:
Molecular Simulation jobs near you
Infographic showing various Molecular Simulation job openings in the United States as of August 2026, with employment types broken down into 84% Full Time, 13% Part Time, and 3% Contract. Highlights an 84% Physical, 4% Hybrid, and 12% Remote job distribution, with an average salary of $80,687 per year, or $38.8 per hour.

Principal Scientist (Computational Chemistry)

Genentech, Inc.

South San Francisco, CA • On-site

$144K - $269K/yr

Full-time

Re-posted 4 days ago

Genentech rating

8.8

Company rating: 8.8 out of 10

Based on 22 frontline employees who took The Breakroom Quiz

11th of 86 rated pharmaceutical

Job description

A healthier future. It's what drives us to innovate. To continuously advance science and ensure everyone has access to the healthcare they need today and for generations to come. Creating a world where we all have more time with the people we love. That's what makes us Genentech!
The Opportunity
We are seeking an exceptional computational chemist to apply cutting-edge computational science, with an emphasis on induced proximity small molecule discovery. The ideal candidate will possess expertise in computational chemistry, collaborating within project teams to discover and advance induced proximity small molecules into clinical candidates. This is a critical role aimed at accelerating our discovery pipeline, optimizing lead candidates, and applying state of the art computational methods.
Key Responsibilities:
  • Advanced Modeling & Prediction: Lead the development and implementation of advanced computational methods, including molecular dynamics and affinity prediction, for ternary complex modeling, ligand discovery, validation and optimization.
  • AI/ML for Drug Discovery: In collaboration with our internal AI for Drug Discovery team, apply advanced AI/ML technologies, including protein-ligand co-folding, generative and active learning models.
  • Provide strategic direction and present scientific findings to internal and external stakeholders and project teams, including wet-lab scientists.
  • Cross-Functional Collaboration: Work closely with Structural Biology, Biochemical Pharmacology, DMPK, Safety/Investigational Toxicity, and other groups. Foster a collaborative environment within project teams to ensure computationally informed and driven decisions. Collaborate with computational scientists across the Drug Discovery organization and in our AI For Drug Discovery group.

Who You Are
  • Ph.D. in Computational Chemistry, Biophysics, or a related field.
  • 0-6 years of relevant post-Ph.D. experience in industry or a research organization.
  • Proven track record of induced proximity discovery or design projects.
  • Deep knowledge of computational chemistry principles and general molecular modeling techniques (e.g., docking, molecular simulation and dynamics, quantum mechanics, ligand- and structure-based design).
  • Proficient in Python or other relevant programming languages.
  • Experience with cloud computing platforms and/or high-performance computing (HPC) environments.
  • Excellent communication and presentation skills, with the ability to convey complex technical concepts to diverse audiences.
  • Ability to work productively and collaboratively in an interdisciplinary fast-paced team environment.

Preferred
  • Familiarity with computational software such as MOE, Schrodinger, OpenEye, and/or Rosetta.
  • Experience in AI/ML applications in the induced proximity space.
  • A strong track record of publication in leading scientific journals and presentations at major conferences.

Relocation benefits are available for this job posting.
The expected salary range for this position based on the primary location of South San Francisco, CA is $144,900 - 269,100. Actual pay will be determined based on experience, qualifications, geographic location, and other job-related factors permitted by law. A discretionary annual bonus may be available based on individual and Company performance. This position also qualifies for the benefits detailed at the link provided below.
Benefits
Genentech is an equal opportunity employer. It is our policy and practice to employ, promote, and otherwise treat any and all employees and applicants on the basis of merit, qualifications, and competence. The company's policy prohibits unlawful discrimination, including but not limited to, discrimination on the basis of Protected Veteran status, individuals with disabilities status, and consistent with all federal, state, or local laws.
If you have a disability and need an accommodation in relation to the online application process, please contact us by completing this form Accommodations for Applicants.

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About Genentech

Sourced by ZipRecruiter

A member of the Roche Group, Genentech has been at the forefront of the biotechnology industry for more than 40 years, using human genetic information to develop novel medicines for serious and life-threatening diseases. Genentech has multiple therapies on the market for cancer & other serious illnesses. Please take this opportunity to learn about Genentech where we believe that our employees are our most important asset & are dedicated to remaining a great place to work.

Industry

Scientific research and development services

Company size

10,000+ Employees

Headquarters location

South San Francisco, CA, US

Year founded

1976

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