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Computational Chemistry Research Jobs (NOW HIRING)

Ucf

Post Doctoral Scholar, Chemistry

Orlando, FL · On-site

$57K/yr

Conduct advanced computational chemistry research with a focus on nanophotonics, quantum mechanics, and machine learning-assisted modeling and simulations. * Prepare manuscripts and conference ...

New

1910

Computational Theoretical Chemist I

Boston, MA

Teach key computational chemistry principles to your cross-disciplinary colleagues from Medicinal Chemistry, AI Research, Machine Learning Engineering, Cell Biology, and Pharmacology * Partner to ...

1910

Computational Theoretical Chemist I

Boston, MA · On-site

Teach key computational chemistry principles to your cross-disciplinary colleagues from Medicinal Chemistry, AI Research, Machine Learning Engineering, Cell Biology, and Pharmacology * Partner to ...

1910

Computational Theoretical Chemist I

Boston, MA · On-site

Teach key computational chemistry principles to your cross-disciplinary colleagues from Medicinal Chemistry, AI Research, Machine Learning Engineering, Cell Biology, and Pharmacology * Partner to ...

1910

Computational Theoretical Chemist II

Boston, MA · On-site

Teach key computational chemistry principles to your cross-disciplinary colleagues from Medicinal Chemistry, AI Research, Machine Learning Engineering, Cell Biology, and Pharmacology * Partner to ...

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Computational Chemistry Research information

Is computational chemistry in demand?

Computational chemistry research is in demand across industries such as pharmaceuticals, materials science, and chemical engineering, as it supports drug discovery and product development. The field requires strong skills in programming, modeling software, and data analysis, with job growth driven by advances in high-performance computing and machine learning applications.

What is computational chemistry research?

Computational chemistry research involves using computer simulations and mathematical models to study the structures, properties, and reactions of molecules and materials. Researchers in this field apply theoretical chemistry methods and software to predict molecular behavior, explore reaction mechanisms, and design new compounds. This approach helps complement experimental work, reduce costs, and accelerate scientific discoveries in areas such as drug design, materials science, and catalysis.

Do you need a PhD for computational chemistry?

A PhD is often required for advanced research positions in computational chemistry, especially those involving independent projects or academic roles. However, entry-level roles or industry positions may only require a master's degree or bachelor's degree combined with relevant skills in programming, modeling, and chemistry software. The specific educational requirements depend on the employer and the complexity of the work involved.

How much does a PhD in computational chemistry make?

A PhD in computational chemistry typically earns between $70,000 and $120,000 annually, depending on experience, industry, and location. Entry-level positions may start lower, while experienced researchers or those in industry roles can earn higher salaries, especially with additional skills in programming and modeling tools.

What can I do with a PhD in computational chemistry?

A PhD in computational chemistry prepares individuals for research roles in academia, industry, and government agencies, focusing on modeling chemical systems, drug discovery, materials design, and molecular simulations. Graduates often work as research scientists, computational chemists, or data analysts, utilizing skills in programming, quantum mechanics, and chemical software tools. Advanced positions may require collaboration with experimental teams and publication of scientific findings.

What are some common challenges faced by professionals in computational chemistry research, and how can they be addressed?

Professionals in computational chemistry research often encounter challenges such as managing large datasets, ensuring the accuracy of simulation models, and staying updated with rapidly evolving software tools. Collaborating closely with experimental chemists and IT specialists can help bridge knowledge gaps and validate computational results. Additionally, dedicating time to continuous learning and utilizing high-performance computing resources are effective strategies to overcome technical hurdles and remain competitive in the field.

What are the key skills and qualifications needed to thrive as a computational chemistry researcher?

A strong background in chemistry, physics, and mathematics, often supported by a PhD or advanced degree, is essential for computational chemistry research. Expertise in programming languages (such as Python or Fortran), molecular modeling software (like Gaussian or VASP), and high-performance computing environments is typically required. Analytical thinking, problem-solving, and clear scientific communication are important soft skills for success in collaborative and interdisciplinary research settings. These skills and qualifications enable researchers to design accurate simulations, interpret complex data, and contribute meaningful insights to scientific advancements.
More about Computational Chemistry Research jobs
What job categories do people searching Computational Chemistry Research jobs look for? The top searched job categories for Computational Chemistry Research jobs are:
Computational Chemistry Research jobs near you
Infographic showing various Computational Chemistry Research job openings in the United States as of August 2026, with employment types broken down into 1% As Needed, 86% Full Time, 11% Part Time, and 2% Contract. Highlights an 87% Physical, 3% Hybrid, and 10% Remote job distribution.

Senior Computational Chemistry Engineer

Lam Research Corporation

Fremont, CA • On-site

$119K - $261K/yr

Full-time

Posted 25 days ago

Lam Research rating

8.2

Company rating: 8.2 out of 10

Based on 46 frontline employees who took The Breakroom Quiz

129th of 487 rated machine equipment manufacturers

Job description

The group you'll be a part of
In the Semiverse® Solutions Team, we are dedicated to excellence in the virtual experimentation of Lam's etch and deposition processes. We drive innovation to ensure our cutting-edge solutions are helping to solve the biggest challenges in the semiconductor industry.
The impact you'll make
As a Senior Computational Chemistry Engineer at Lam, you will operate on cutting-edge technology, harnessing atomic precision, materials science, and surface engineering to push technical boundaries. Your role involves identifying new and advanced processes and chemical formulations. Your expertise and knowledge will play a crucial role in our customers' success, making an impact on next generation semiconductor technologies.
What you'll do
  • Perform first-principles calculations and atomistic modeling to investigate reaction mechanisms, surface chemistry, plasma-surface interactions, and materials behavior
  • Generate high fidelity training datasets from quantum chemistry and density functional theory (DFT) calculations to support development of next-generation simulation capabilities
  • Utilize computational chemistry learning to support process engineering research & development, and process/chamber/feature simulations
  • Plan projects involving definition and selection of new concepts and approaches for simulation evaluation workflows
  • Compile and evaluate modeling data to provide guidance on chemistries and materials, as well as appropriate limits and variables for process specifications
  • Communicate chemistry and process insights clearly through presentations and technical discussions with stakeholders

Minimum Qualifications
  • Ph.D. in Computational Chemistry, Chemistry, Chemical Engineering or Materials Science (or equivalent)
  • At least 3-5 years of industry experience, post Ph.D.
  • Experience using DFT software (e.g. Gaussian)
  • Experience with frontier molecular orbital analysis and full reaction pathway studies
  • Experience applying quantum chemistry fundamentals to solve challenges related to semiconductor processes and materials applications
  • Interest in advanced technology and an on-going desire to learn
  • Ability to work effectively and efficiently with diverse teams

Preferred qualifications
  • Experience with reactive molecular dynamics (e.g. ReaxFF)
  • Experience with MLIP architectures (e.g. MACE, SevenNet)
  • Strong organizational skills and demonstrated ability to manage multiple tasks simultaneously
  • Ability to react to shifting priorities to meet business needs and deadlines
  • Collaboration/Matrix environment mindset

Our commitment
We believe it is important for every person to feel valued, included, and empowered to achieve their full potential. By bringing unique individuals and viewpoints together, we achieve extraordinary results.
Lam Research ("Lam" or the "Company") is an equal opportunity employer. Lam is committed to and reaffirms support of equal opportunity in employment and non-discrimination in employment policies, practices and procedures on the basis of race, religious creed, color, national origin, ancestry, physical disability, mental disability, medical condition, genetic information, marital status, sex (including pregnancy, childbirth and related medical conditions), gender, gender identity, gender expression, age, sexual orientation, or military and veteran status or any other category protected by applicable federal, state, or local laws. It is the Company's intention to comply with all applicable laws and regulations. Company policy prohibits unlawful discrimination against applicants or employees.
Lam offers a variety of work location models based on the needs of each role. Our hybrid roles combine the benefits of on-site collaboration with colleagues and the flexibility to work remotely and fall into two categories - On-site Flex and Virtual Flex. 'On-site Flex' you'll work 3+ days per week on-site at a Lam or customer/supplier location, with the opportunity to work remotely for the balance of the week. 'Virtual Flex' you'll work 1-2 days per week on-site at a Lam or customer/supplier location, and remotely the rest of the time.
Salary
CA San Francisco Bay Area Salary Range for this position: $119,000.00 - $261,000.00.
The above salary range for this position is relevant to applicants that reside or work onsite in the California, San Francisco Bay Area only. Salary offers will depend on factors that include the location you work from, your level, education, training, specific skills, years of experience and comparison to other employees already in this role. Actual salary may vary from salary offered due to numerous factors including but not limited to unpaid time off, unpaid leave, company mandated shutdown, and other relevant factors.
Our Perks and Benefits
At Lam, our people make amazing things possible. That's why we invest in you throughout the phases of your life with a comprehensive set of outstanding benefits.

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About Lam Research

Sourced by ZipRecruiter

Lam Research designs and builds products for semiconductor manufacturing, including equipment for thin film deposition, plasma etch, photoresist strip, and wafer cleaning processes.

Industry

Manufacturing

Company size

10,000+ Employees

Headquarters location

Fremont, CA, US

Year founded

1980

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