1

Postdoctoral Position Computational Chemistry Jobs

... computational chemistry, machine learning, and agentic science. Qualifications : Required : • Ph.D. in Chemistry, Chemical Engineering, Materials Science, Physics, Computer Science, or a related ...

About the Opportunity Job Summary The Dong Theoretical and Computational Chemistry Lab at ... PhD completion date Position Type Research Additional Information Northeastern University considers ...

Responsibilities: The Postdoctoral Scholar will: * Work collaboratively with the Principal ... Conduct advanced computational chemistry research with a focus on nanophotonics, quantum mechanics ...

Postdoctoral Scholar

Bodega Bay, CA · On-site

$69K - $107K/yr

... position utilizing universal potentials, machine learning interatomic potentials, atomistic ... D. in Chemistry, Materials Science, Computational Science, Data Science, Applied Mathematics ...

Senior Computational Chemist

La Jolla, CA · On-site

$106K - $176K/yr

Position Summary The Machine Learning & Computational Sciences (MLCS) organization within Medicine ... MLCS supports medicinal chemistry and drug design teams by enabling data-driven decision making ...

Senior Computational Chemist

La Jolla, CA · On-site +1

$106K - $176K/yr

Position Summary The Machine Learning & Computational Sciences (MLCS) organization within Medicine ... MLCS supports medicinal chemistry and drug design teams by enabling data-driven decision making ...

Showing results 41-60

Postdoctoral Position Computational Chemistry information

See salary details

$25K

$59K

$83.5K

How much do postdoctoral position computational chemistry jobs pay per year?

As of Aug 12, 2026, the average yearly pay for postdoctoral position computational chemistry in the United States is $59,022.00, according to ZipRecruiter salary data. Most workers in this role earn between $49,000.00 and $66,500.00 per year, depending on experience, location, and employer.
More about Postdoctoral Position Computational Chemistry jobs
What cities are hiring for Postdoctoral Position Computational Chemistry jobs? Cities with the most Postdoctoral Position Computational Chemistry job openings:
What states have the most Postdoctoral Position Computational Chemistry jobs? States with the most job openings for Postdoctoral Position Computational Chemistry jobs include:
Infographic showing various Postdoctoral Position Computational Chemistry job openings in the United States as of August 2026, with employment types broken down into 1% As Needed, 79% Full Time, 16% Part Time, 1% Temporary, and 3% Contract. Highlights an 90% Physical, 2% Hybrid, and 8% Remote job distribution, with an average salary of $59,022 per year, or $28.4 per hour.

Postdoctoral Associate

Virginia Tech

Blacksburg, VA • On-site

Full-time

Re-posted 14 days ago


Virginia Tech rating

7.8

Company rating: 7.8 out of 10

Based on 65 frontline employees who took The Breakroom Quiz

229th of 618 rated colleges and universities


Job description

Job Summary:
Virginia Tech is a leading global research institution dedicated to knowledge and creativity. They are seeking multiple full-time Postdoctoral Associates to develop agentic AI systems for computational catalysis and experimental design, collaborating with interdisciplinary research groups in materials discovery.
Responsibilities:
• Contribute to building AI-native frameworks that combine physics-based modeling, machine-learning methods, knowledge-graph and ontology-based scientific data infrastructures, and agentic workflows for autonomous hypothesis generation, mechanistic exploration, and design of catalytic systems.
• Collaborate closely with interdisciplinary research groups advancing materials discovery through the convergence of computational chemistry, machine learning, and agentic science.
Qualifications:
Required:
• Ph.D. in Chemistry, Chemical Engineering, Materials Science, Physics, Computer Science, or a related field. PhD must be awarded no more than four years prior to the effective date of appointment with a minimum of one year eligibility remaining.
• Strong expertise in multiscale/multiphysics modeling relevant to catalysis, and experience with machine learning models.
• Deep understanding of reaction kinetics, thermodynamics, and structure-reactivity relationships in catalytic systems.
• Demonstrated experience with agentic AI, including automated data curation, ML model integration, workflow orchestration, or AI-assisted experimental design.
• Proven ability to conduct independent research, collaborate across disciplines, and publish high-quality scientific work.
Company:
Virginia Tech is a public research university that offers a range of academic programs and conducts research across various fields. Founded in 1872, the company is headquartered in Blacksburg, USA, with a team of 5001-10000 employees. The company is currently Late Stage.

What Virginia Tech employees say

Pay

Benefits

Hours and flexibility

Workplace

Get the full story on Breakroom


Virginia Tech logo

About Virginia Tech

Sourced by ZipRecruiter

Virginia Tech, guided by its motto "Ut Prosim" (That I May Serve), embraces a hands-on, interdisciplinary approach to educate scholars as leaders and problem-solvers. As a comprehensive land-grant institution, it enriches the quality of life in Virginia and worldwide, fostering an inclusive community focused on knowledge, discovery, and creativity. With over 280 majors, the university serves a diverse student body of more than 36,000 across undergraduate, graduate, and professional programs. Virginia Tech's presence extends throughout Virginia, including campuses in Northern Virginia, Roanoke, Newport News, and Richmond, along with multiple Extension offices and research centers. As a prominent global research institution, it conducts over $500 million in research annually.

Industry

Colleges, universities, and professional schools

Company size

5,001 - 10,000 Employees

Headquarters location

Blacksburg, VA, US

Year founded

1872

Social media