Use molecular dynamics, free energy methods, quantum chemistry, and cheminformatics to address complex design and prioritization questions * Translate computational analyses into clear, actionable ...
Use molecular dynamics, free energy methods, quantum chemistry, and cheminformatics to address complex design and prioritization questions * Translate computational analyses into clear, actionable ...
... computational methods for analyzing them. Key job responsibilities We are looking to hire an ... chemistry, optimization, or machine learning - or develop entirely new algorithms - Perform ...
... computational methods for analyzing them. Key job responsibilities We are looking to hire an ... chemistry, optimization, or machine learning - or develop entirely new algorithms - Perform ...
... computational methods for analyzing them. Key job responsibilities We are looking to hire an ... chemistry, optimization, or machine learning - or develop entirely new algorithms - Perform ...
... computational methods for analyzing them. Key job responsibilities We are looking to hire an ... chemistry, optimization, or machine learning - or develop entirely new algorithms - Perform ...
... computational methods for analyzing them. Key job responsibilities We are looking to hire an ... chemistry, optimization, or machine learning - or develop entirely new algorithms - Perform ...
... computational methods for analyzing them. Key job responsibilities We are looking to hire an ... chemistry, optimization, or machine learning - or develop entirely new algorithms - Perform ...
We're a small, diverse team of AI engineers, computational scientists, and bench scientists. We ... The role You'll build simulation pipelines that fuse conventional computational chemistry with AI ...
We're a small, diverse team of AI engineers, computational scientists, and bench scientists. We ... The role You'll build simulation pipelines that fuse conventional computational chemistry with AI ...
Research Scientist, Computational Condensed Matter Physics
Cambridge, MA · On-site
$176K - $304K/yr
The focus is on using computational insight to identify promising materials, explain structure ... Deep understanding of electronic-structure theory (quantum chemistry, DFT, beyond-DFT methods, etc ...
Research Scientist, Computational Condensed Matter Physics
Cambridge, MA · On-site
$176K - $304K/yr
The focus is on using computational insight to identify promising materials, explain structure ... Deep understanding of electronic-structure theory (quantum chemistry, DFT, beyond-DFT methods, etc ...
Quantum Algorithms Postdoctoral Fellow
Berkeley, CA · On-site
$8.5K - $9.9K/mo
D. degree in Applied Mathematics, Computer Science, Computational Chemistry, Physics, or a relevant field. * Demonstrated research experience in the development of quantum algorithms, preferably for ...
Quantum Algorithms Postdoctoral Fellow
Berkeley, CA · On-site
$8.5K - $9.9K/mo
D. degree in Applied Mathematics, Computer Science, Computational Chemistry, Physics, or a relevant field. * Demonstrated research experience in the development of quantum algorithms, preferably for ...
... computational challenges using quantum computing. Learn more about realizing the value of quantum ... MS or PhD in Physics, Chemistry, Computer Science, Electrical Engineering, Mathematics, or related ...
... computational challenges using quantum computing. Learn more about realizing the value of quantum ... MS or PhD in Physics, Chemistry, Computer Science, Electrical Engineering, Mathematics, or related ...
Postdoctoral Research Associate Positions in AI/ML-Driven Molecular Discovery, Quantum Algorithms, a
Los Alamos, NM · On-site
Strong background in theoretical chemistry, computational chemistry, chemical physics, or a closely ... Experience with using quantum computing capability development to advance both quantum and ...
Postdoctoral Research Associate Positions in AI/ML-Driven Molecular Discovery, Quantum Algorithms, a
Los Alamos, NM · On-site
Strong background in theoretical chemistry, computational chemistry, chemical physics, or a closely ... Experience with using quantum computing capability development to advance both quantum and ...
Postdoctoral Research Associate Positions in AI/ML-Driven Molecular Discovery, Quantum Algorithms, a
Los Alamos, NM · On-site
Strong background in theoretical chemistry, computational chemistry, chemical physics, or a closely ... Experience with using quantum computing capability development to advance both quantum and ...
Postdoctoral Research Associate Positions in AI/ML-Driven Molecular Discovery, Quantum Algorithms, a
Los Alamos, NM · On-site
Strong background in theoretical chemistry, computational chemistry, chemical physics, or a closely ... Experience with using quantum computing capability development to advance both quantum and ...
Postdoctoral Appointee - AI-Driven Computational Catalysis
Lemont, IL · On-site
$72K - $121K/yr
The Chemical Sciences and Engineering Division invites applications for a Postdoctoral Appointee to contribute to innovative research at the intersection of computational catalysis, quantum chemistry ...
Postdoctoral Appointee - AI-Driven Computational Catalysis
Lemont, IL · On-site
$72K - $121K/yr
The Chemical Sciences and Engineering Division invites applications for a Postdoctoral Appointee to contribute to innovative research at the intersection of computational catalysis, quantum chemistry ...
Description The Center for Computational Quantum Physics (CCQ) at the Flatiron Institute seeks ... or chemistry relevant to the proposed research Experience * At least 1-2 years of advanced course ...
Description The Center for Computational Quantum Physics (CCQ) at the Flatiron Institute seeks ... or chemistry relevant to the proposed research Experience * At least 1-2 years of advanced course ...
Postdoctoral Research Associate - Quantum Computing for Simulating Physical Systems
Los Alamos, NM · On-site
Successful applicants will have the opportunity to lead and collaborate on innovative projects, working closely with researchers in quantum computing, computational science, chemistry, and materials ...
Postdoctoral Research Associate - Quantum Computing for Simulating Physical Systems
Los Alamos, NM · On-site
Successful applicants will have the opportunity to lead and collaborate on innovative projects, working closely with researchers in quantum computing, computational science, chemistry, and materials ...
Postdoctoral Research Associate - Quantum Computing for Simulating Physical Systems
Los Alamos, NM · On-site
Successful applicants will have the opportunity to lead and collaborate on innovative projects, working closely with researchers in quantum computing, computational science, chemistry, and materials ...
Postdoctoral Research Associate - Quantum Computing for Simulating Physical Systems
Los Alamos, NM · On-site
Successful applicants will have the opportunity to lead and collaborate on innovative projects, working closely with researchers in quantum computing, computational science, chemistry, and materials ...
Senior Quantum Computational Materials Scientist, US
Washington, DC · On-site
$120K - $175K/yr
... Quantum Computational Materials Scientist to join our team in Washington DC. In this newly created ... PhD in (ab initio) electronic structure methods, theory and computation, Chemistry, Physics ...
Senior Quantum Computational Materials Scientist, US
Washington, DC · On-site
$120K - $175K/yr
... Quantum Computational Materials Scientist to join our team in Washington DC. In this newly created ... PhD in (ab initio) electronic structure methods, theory and computation, Chemistry, Physics ...
Senior Quantum Computational Materials Scientist, US
Washington, DC · On-site
$120K - $175K/yr
... Quantum Computational Materials Scientist to join our team in Washington DC. In this newly created ... PhD in (ab initio) electronic structure methods, theory and computation, Chemistry, Physics ...
Quick apply
Senior Quantum Computational Materials Scientist, US
Washington, DC · On-site
$120K - $175K/yr
... Quantum Computational Materials Scientist to join our team in Washington DC. In this newly created ... PhD in (ab initio) electronic structure methods, theory and computation, Chemistry, Physics ...
You will work closely with our experimental physicists and chemists, turning simulation into real ... PhD-level depth in computational materials science, condensed-matter physics, or computational ...
You will work closely with our experimental physicists and chemists, turning simulation into real ... PhD-level depth in computational materials science, condensed-matter physics, or computational ...
Senior Quantum Computational Materials Scientist, US
Washington, DC · On-site
$120K - $175K/yr
... Quantum Computational Materials Scientist to join our team in Washington DC. In this newly created ... PhD in (ab initio) electronic structure methods, theory and computation, Chemistry, Physics ...
Senior Quantum Computational Materials Scientist, US
Washington, DC · On-site
$120K - $175K/yr
... Quantum Computational Materials Scientist to join our team in Washington DC. In this newly created ... PhD in (ab initio) electronic structure methods, theory and computation, Chemistry, Physics ...
Computational Research Scientist (Two-Dimensional Materials and Low-Pressure Processing Plasma)
Princeton, NJ · On-site
$111K - $178K/yr
Advanced experience with major electronic structure, molecular dynamics, and quantum chemistry ... Ability to communicate complex computational results clearly to scientific, engineering ...
Computational Research Scientist (Two-Dimensional Materials and Low-Pressure Processing Plasma)
Princeton, NJ · On-site
$111K - $178K/yr
Advanced experience with major electronic structure, molecular dynamics, and quantum chemistry ... Ability to communicate complex computational results clearly to scientific, engineering ...
Postdoctoral Appointee - AI-Driven Computational Catalysis
Lemont, IL · On-site
$72K - $121K/yr
... catalysis, quantum chemistry, and artificial intelligence. This position offers an exciting ... Conduct computational studies of catalytic active sites and reaction pathways using quantum ...
Postdoctoral Appointee - AI-Driven Computational Catalysis
Lemont, IL · On-site
$72K - $121K/yr
... catalysis, quantum chemistry, and artificial intelligence. This position offers an exciting ... Conduct computational studies of catalytic active sites and reaction pathways using quantum ...
Computational Quantum Chemistry information
See salary details
$12.50 - $14.20
1% of jobs
$14.20 - $15.91
11% of jobs
$15.91 - $17.61
13% of jobs
$17.63 is the 25th percentile. Wages below this are outliers.
$17.61 - $19.32
24% of jobs
The median wage is $19.48 / hr.
$19.32 - $21.02
17% of jobs
$22.27 is the 75th percentile. Wages above this are outliers.
$21.02 - $22.73
13% of jobs
$22.73 - $24.43
9% of jobs
$24.43 - $26.14
6% of jobs
$26.14 - $27.84
3% of jobs
$27.84 - $29.55
2% of jobs
$29.55 - $31.25
1% of jobs
$12
$20
$31
How much do computational quantum chemistry jobs pay per hour?
What is computational quantum chemistry?
What are the key skills and qualifications needed to thrive as a computational quantum chemist?
What are some typical challenges faced by professionals in computational quantum chemistry, and how can they be addressed?
What is the difference between Computational Quantum Chemistry vs Computational Chemist?
| Aspect | Computational Quantum Chemistry | Computational Chemist |
|---|---|---|
| Required Credentials | Advanced degrees in chemistry, physics, or related fields; knowledge of quantum mechanics | Similar educational background; often includes programming and chemistry expertise |
| Work Environment | Research labs, academia, industry; focus on theoretical modeling | Research and development settings; practical application of simulations |
| Industry Usage | Primarily in chemical research, pharmaceuticals, materials science | Broader industry roles including product development, materials, and pharmaceuticals |
Computational Quantum Chemistry specializes in applying quantum mechanics to model molecular systems, while Computational Chemist covers a broader range of computational techniques in chemistry. Both roles require similar educational backgrounds and often work in research environments, but their focus areas differ—one on fundamental quantum calculations, the other on practical applications.
What states have the most Computational Quantum Chemistry jobs?
States with the most job openings for Computational Quantum Chemistry jobs include:
What job categories do people searching Computational Quantum Chemistry jobs look for?
The top searched job categories for Computational Quantum Chemistry jobs are:

Senior Principal Research Scientist, Computational Chemistry
South San Francisco, CA • Hybrid
Full-time
Medical, Dental, Vision, Retirement
Re-posted 12 days ago
Job description
IDEAYA's Non-Solicitation Policy strictly prohibits agencies and recruiters from any contact and communication with IDEAYA employees, managers, and leaders to submit unsolicited candidate resumes and/or to solicit business partnerships. Submission of unsolicited candidate resumes by agencies or recruiters with or without a contract in place with IDEAYA Biosciences Inc. will not create any implied obligation. Failure to comply with this policy will result in disqualification from current and future business opportunities with IDEAYA Biosciences. All recruiting and talent agency decisions are strictly managed by the internal IDEAYA Human Resources function. All communication by external agencies and recruiters must be directed to humanresources@ideayabio.com. We ask that you only email your interest once.
Job Summary
About IDEAYA Biosciences:IDEAYA is a precision medicine oncology company committed to the discovery, development, and commercialization of transformative therapies for cancer. Our approach integrates expertise in small-molecule drug discovery, structural biology and bioinformatics with robust internal capabilities in identifying and validating translational biomarkers to develop tailored, potentially first-in-class targeted therapies aligned to the genetic drivers of disease. We have built a deep pipeline of product candidates focused on synthetic lethality and antibody-drug conjugates, or ADCs, for molecularly defined solid tumor indications. Our mission is to bring forth the next wave of precision oncology therapies that are more selective, more effective, and deeply personalized with the goal of altering the course of disease and improving clinical outcomes for patients with cancer.
When you're at IDEAYA, you will be in the midst of brilliant minds working on precision medicine therapies to help cancer patients. We are passionate and committed about being on the forefront of oncology medicine, which means we all have a high internal drive that is at the very core of every person at IDEAYA. We are inquisitive, ask deep questions, and are data-driven innovators who like to collaborate and use team work to move science forward. For more information, please see www.ideayabio.com.
Position Summary:
We are seeking an accomplished Senior Principal Research Scientist in Computational Chemistry with significant pharmaceutical industry experience to join our multidisciplinary small molecule drug discovery organization. This is a senior individual contributor role for a highly experienced computational chemist with a strong track record of advancing pharmaceutical discovery programs through hands-on scientific impact.
The successful candidate will support discovery project teams across target identification, hit discovery, lead optimization, and drug candidate selection. The role requires a high degree of independence, technical depth, and scientific judgment. The candidate will apply modern computational chemistry approaches to directly inform medicinal chemistry design and project decision-making. We are looking for a creative, detail-oriented scientist with a passion for drug discovery and a collaborative mindset.
As part of the drug discovery team, the candidate will contribute directly to target assessment and druggability analysis, perform virtual screening and structure-based modeling, and work closely with medicinal chemists to design compounds with improved potency, selectivity, functional activity, and developability (e.g., ADME/DMPK). In addition to hands-on contributions, the candidate will mentor other scientists and share best practices to amplify the impact of computational chemistry across project teams.
This position is based in our South San Francisco headquarter office and required to be onsite four days per week per our company policy.
Location: South San Francisco, CA.
Reporting to: Director & Head of Computational Chemistry
Job Description
What you'll do:
- Lead structure-based drug design meetings with medicinal chemists and provide senior-level, hands-on drug design and computational chemistry support to small molecule drug discovery project teams
- Contribute to programs from target identification through lead optimization and drug candidate selection
- Apply structure-, ligand-, and fragment-based modeling to guide medicinal chemistry design
- Use molecular dynamics, free energy methods, quantum chemistry, and cheminformatics to address complex design and prioritization questions
- Translate computational analyses into clear, actionable compound design recommendations
- Serve as a highly experienced computational contributor and scientific advisor within project teams
- Mentor and coach other scientists in structure-based drug design through technical guidance and scientific discussion
- Evaluate new computational methods, tools, and workflows and apply them when they add clear value
- Maintain scientific rigor, reproducibility, and best practices in an industry drug discovery environment
Requirements:
- PhD in Computational Chemistry or a related discipline with 9+ years of pharmaceutical or biotechnology industry experience
- Strong understanding of small molecule drug discovery and medicinal chemistry principles
- Demonstrated expertise in structure-, ligand-, and fragment-based drug discovery
- Expertise in free energy perturbation, molecular dynamics, quantum mechanics, cheminformatics, and ligand affinity estimation methods
- Proven ability to independently deliver computational work that influences medicinal chemistry decisions and project outcomes
- Ability to manage priorities across multiple discovery programs
- Excellent oral and written communication skills
- Experience applying machine learning or AI methods to molecular design, property prediction, or compound prioritization
- Experience with Schrodinger modeling software and others (e.g., MOE, OpenEye)
- Programming, scripting, statistics, and data analysis experience applied to drug discovery
- Experience working on challenging target classes, including protein-protein interactions and allosteric pockets
- Track record of contributing to discovery programs that advance high-quality small molecule drug candidates
All employees are expected to act with integrity and in full compliance with applicable laws, regulations, and IDEAYA policies, including IDEAYA's Code of Conduct.
Employees must demonstrate good judgement and ethical behavior in all business activities, maintain patient and product safety as a top priority, and report any suspected violations of law or Company policy through appropriate channels
Total Rewards
Along with our inspiring mission, and highly collaborative and inclusive environment, IDEAYA offers a competitive total rewards package that reflects our pay-for-performance philosophy where employees are eligible to be considered for merit-based salary increases, company discretionary short-term incentive plan participation, and company discretionary stock option awards (based on board approval). Our comprehensive benefits package includes, but is not limited to, medical/dental/vision coverage (100% company paid for employees and 90% company paid for dependents), 401k, ESPP, and wellness programs.
The expected salary range for the roleof Senior Principal Research Scientist, Computational Chemistry is $196,000 - $242,000. The final salary offered to a successful candidate will depend on several factors that may include but are not limited to the office location where this open position is located, the final candidates' experience within their profession, experience in the disease areas we are striving to make an impact in as a company, length of time within the industry, educational background, and performance during the interview process.
The Company complies with all laws respecting equal employment opportunities and does not discriminate against applicants with regard to any protected characteristic as defined by federal, state, and local law. This position requires you to work onsite in the office at the Company's facilities for training & meetings, with work-from-home flexibility, and the Company requires that all employees working in its facilities be fully vaccinated (except as required by applicable law). Therefore, this position requires you to be fully vaccinated from COVID-19, subject to reasonable accommodations for medical or religious reasons, and/or as otherwise required by applicable law. The Company considers you fully vaccinated once 14 days have passed since you received either the second dose in a two-dose COVID-19 vaccine series or a single-dose COVID-19 vaccine. The vaccine must have been FDA approved, have emergency use authorization from the FDA, or, for persons fully vaccinated outside of the U.S., be listed for emergency use by the World Health Organization.
IDEAYA is an equal opportunity employer. In accordance with applicable law, IDEAYA does not discriminate in hiring or otherwise in employment based on race, color, religion, sex, national origin, age, marital or veteran status, disability, sexual orientation, or any other legally protected status. EOE/AA/Vets.