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Molecular Simulation Jobs in California (NOW HIRING)

LLNL

Machine Learning (ML) Bioengineer

Livermore, CA · On-site

As a member of our multidisciplinary team, you will collaborate with experts in machine learning, molecular simulation, optimization, and bioinformatics, and interface with experimentalists ...

LLNL

Machine Learning (ML) Bioengineer

Livermore, CA · On-site

$9.7K/wk

As a member of our multidisciplinary team, you will collaborate with experts in machine learning, molecular simulation, optimization, and bioinformatics, and interface with experimentalists ...

LLNL

Machine Learning (ML) Bioengineer

Livermore, CA · On-site

As a member of our multidisciplinary team, you will collaborate with experts in machine learning, molecular simulation, optimization, and bioinformatics, and interface with experimentalists ...

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Molecular Simulation information

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.

What are popular job titles related to Molecular Simulation jobs in California?

For Molecular Simulation jobs in California, the most frequently searched job titles are:

What job categories do people searching Molecular Simulation jobs in California look for?

The top searched job categories for Molecular Simulation jobs in California are:

What cities in California are hiring for Molecular Simulation jobs?

Cities in California with the most Molecular Simulation job openings:

Molecular Simulation jobs near you
Infographic showing various Molecular Simulation job openings in California as of August 2026, with employment types broken down into 1% As Needed, 82% Full Time, 13% Part Time, 2% Temporary, and 2% Contract. Highlights an 85% Physical, 4% Hybrid, and 11% Remote job distribution.

Fullstack Software Engineer (Senior / Staff)

Genesis Molecular AI

San Mateo, CA • On-site

$139K - $183K/yr

Full-time

Medical, Dental, Vision, Retirement

Re-posted 12 days ago

Job description

Fullstack Software Engineer (Senior / Staff)
Genesis Molecular AI is building a world-class software team to solve problems in drug discovery through machine learning, biophysical simulation, and computational chemistry. We are looking for engineers excited to help develop new medicines and play a critical role in building out our software platform.
You will
  • Own and evolve the full-stack platform that computational chemists use daily, from data exploration and experiment management to real-time visualization, shipping AI-native workflows and modern interaction patterns that shorten the loop between hypothesis and insight
  • Build and expand tools for visualizing molecules and proteins, analyzing ML models, and managing complex chemical workflows
  • Partner with machine learning engineers and computational chemists to develop and productionize new computational methods for molecular property prediction
  • Scale our data infrastructure to handle billions of datapoints and thousands of parallel deep learning and molecular dynamics jobs

You are
  • A deep thinker who reasons from first principles, balances attention to detail with architectural thinking, and has an investigative curiosity to find the root cause of a problem
  • Comfortable owning problems across the entire stack - frontend interfaces, backend services, data pipelines, and infrastructure
  • Experienced shipping production code and driving projects end-to-end with minimal hand-holding
  • Excited to work at the intersection of software engineering, drug discovery, and machine learning

What we offer
  • The opportunity to work on high impact tools and products that are immediately deployed to accelerate the discovery of new medicines
  • Strong technical coworkers in AI, software, and chemistry, who all have a powerful mix of intellectual curiosity and humility. The team reads and discusses 1-2 machine learning or chemistry papers every week to stay on top of the field and inspire new ideas
  • Competitive salary and equity. Medical, dental, and vision insurance, and a 401(k) program

About Genesis Molecular AI
Genesis Molecular AI is pioneering foundation models for molecular AI to unlock a new era of drug design and development. Our generative and predictive AI platform, GEMS (Genesis Exploration of Molecular Space), integrates AI and physics into industry-leading models to generate and optimize drug molecules, including the breakthrough generative diffusion model Pearl for structure prediction. Genesis is backed by premier AI and life science investors, including a16z, NVIDIA, Rock Springs Capital, Menlo Ventures, T. Rowe Price, Fidelity, and Radical Ventures. Genesis has also signed category-leading AI-pharma deals, the most recent of which was a significant expansion with Incyte (see coverage in Forbes and GEN) with a total potential deal value of several billion dollars.
Genesis is headquartered in San Mateo, CA, with a fully integrated laboratory in San Diego. We are proud to be an inclusive workplace and an Equal Opportunity Employer.

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