Top 14 Computational Chemistry Post Doc Jobs

Post-Doc Research Associate
University of North Carolina at Chapel Hill —Chapel Hill, NC
- Temporary
- Mid-level
- Math
- University
- Vision insurance
Postdoctoral Researcher - Computational Chemistry
Syracuse University —Syracuse, NY
- $62,400 - $67,400 a year
- Online Application
- University
- Doctor of Philosophy
- Travel
7d
Post Doc Research Associate
Purdue University —West Lafayette, IN
- University
- Doctor of Philosophy
- Senior level
Postdoctoral Associate- Dr. Yanjun Li Lab
University of Florida —Gainesville, FL
- Computer Science
- University
- Doctor of Philosophy
- Disability insurance
- Dental insurance
Assoc. Scientist, Post Doc Fellow- Data Science for Multi-omics and Biomarker Modeling in Neuroscience
Merck —Cambridge, MA
- $71,900 - $113,200 a year
- Full-time
- Computer Science
- Math
- Doctor of Philosophy
- Paid holidays
- Health insurance
4d
Post Doctoral Associate in the Center for Molecular Magnetic Quantum Materials (M2QM)
University of Florida —Gainesville, FL
- $48,000 - $58,000 a year
- University
- Doctor of Philosophy
- Mentoring
Senior Machine Learning Scientist, Foundational ML, AI for Biology & Translation (AIBT)
Genentech —San Francisco, CA
- $147,800 - $274,400 a year
- Online Application
- Computer Science
- System design
- Doctor of Philosophy
12d
Post Doctoral Research Associate
University of Texas at Arlington —Arlington, TX
- Full-time
- University
- Doctor of Philosophy
- Criminal background check
- Health insurance
- Paid time off
Postdoctoral Research Associate
Brookhaven National Laboratory —Upton, NY
- $74,000 - $88,000 a year
- Full-time
- 5 years
- Doctor of Philosophy
- Military encouraged
Postdoctoral Scholar - AI in Earth and Environmental Sciences
Syracuse University —Syracuse, NY
- $62,400 - $70,000 a year
- Full-time
- University
- Doctor of Philosophy
- Military encouraged
Postdoctoral Research Associate - Hybrid Approaches in Solar Energy
Brookhaven National Laboratory —Upton, NY
- $82,000 - $85,000 a year
- Full-time
- 5 years
- Doctor of Philosophy
- Military encouraged

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Postdoctoral Researcher - Computational Chemistry
Syracuse University —Syracuse, NY
Build a database for machine learning models and develop models for electronic properties. Provide technical help to other students and prepare presentations.
$62,400 - $67,400 a year
7d
Postdoctoral Researcher—Photoelectrocatalysis
National Laboratory of the Rockies —Golden, CO
To understand the impact of these manipulations on catalytically active semiconductor systems, the candidate will be engaged in team science that leverages in…
$76,600 - $126,400 a year

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Post-Doc Research Associate

University of North Carolina at Chapel Hill -
Chapel Hill, NC

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Job Details

Temporary | Full-time

Benefits

Vision insurance

Qualifications

Programming languages
Doctor of Philosophy
Research data analysis
Simulation tools

Full Job Description

Posting Details

Department

Envir Sciences and Engineering - 463001

Posting Open Date

04/01/2026

Application Deadline

07/31/2026

Open Until Filled

Position Type

Postdoctoral Scholar

Position Title

Post-Doc Research Associate

Vacancy ID

PDS004819

Full-time/Part-time

Full-Time Temporary

Hours per week

FTE

Work Location

Chapel Hill, NC

Position Location

North Carolina, US

Hiring Range

Proposed Start Date

06/01/2026

Estimated Duration of Appointment

12 Months

Position Information

Be a Tar Heel!

A global higher education leader in innovative teaching, research and public service, the University of North Carolina at Chapel Hill consistently ranks as one of the nation’s top public universities and is among is the top ten research universities in the nation for federal research expenditures as well as for federally funded social and behavioral sciences research and development.

Here at Carolina, our highly skilled postdocs play a vital role in our research enterprise and towards our overall commitment to research excellence. Across many disciplines, postdocs contribute to the intellectual vitality of the University. They provide innovative ideas and perspectives, foster a stimulating research environment and advance knowledge within their fields. Postdocs are crucial members of our scientific research workforce, contributors to our research outputs and an important reason why Carolina is one of the leading public research institutions in the country.

UNC-Chapel Hill offers postdocs comprehensive medical and vision coverage, paid leave, and benefits and services that support professional development and a healthy work/life balance. Chapel Hill regularly ranks as one of the best college towns and best places to live in the United States, a reputation guided by the diverse social, cultural, recreation and professional opportunities that span the campus and community.

Primary Purpose of Organizational Unit

The Department of Environmental Sciences and Engineering (ESE) is one of eight academic units in the Gillings School of Global Public Health. The Department’s primary focus is on research and graduate education at the interface of the environment and human health, with an increasing emphasis on undergraduate education. The Department has tenured and tenure-track faculty, academic fixed-term faculty and research faculty. The current student body comprises approximately 120 graduate students and 50 undergraduate students.

Position Summary

The successful candidate will perform research investigating molecular-level processes in reverse osmosis (RO) membranes and how these processes inform observable macroscopic properties as part of the activities of the UNC Superfund Research Program (SRP) (https://sph.unc.edu/superfund-pages/srp/). This work involves running, developing, and analyzing molecular dynamics (MD) simulations to understand water and solute transport through highly crosslinked polyamide systems. The postdoctoral researcher will study polymer chemistry, crosslinking mechanisms, and transport processes; develop or extend computational tools for analyzing membrane structure and dynamics; and apply theoretical frameworks for connecting molecular and continuum scales. This work bridges fundamental science and applied membrane design, contributing to the development of next-generation membranes. The successful candidate will work collaboratively with a team of computational and experimental researchers. In addition to research activities, the successful candidate is expected to contribute to mentoring of graduate and undergraduate students, proposal writing, and other related academic activities.

Minimum Education and Experience Requirements

Required qualifications for this position are a Ph.D. in environmental engineering, chemical engineering, computational chemistry, materials science, physics, or a closely related field, with prior programming experience demonstrated through coursework, research projects, or professional work.

Required Qualifications, Competencies, and Experience

Applicants must have experience writing and modifying scientific code, performing data analysis or simulation workflows, and proficiency in at least one programming language such as Python, C, C++, or similar.

Preferred Qualifications, Competencies, and Experience

Preferred qualifications include experience with molecular dynamics or atomistic simulations, supercomputing or HPC environments, scientific code development or open-source contributions, polymer chemistry, and mathematics, modeling, or numerical methods. An established record of research productivity is highly desired.

Special Physical/Mental Requirements

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Refine Your Search

Computational Chemistry Post Doc jobs

Post-Doc Research Associate

Postdoctoral Researcher - Computational Chemistry

Post Doc Research Associate

Postdoctoral Associate- Dr. Yanjun Li Lab

Assoc. Scientist, Post Doc Fellow- Data Science for Multi-omics and Biomarker Modeling in Neuroscience

Post Doctoral Associate in the Center for Molecular Magnetic Quantum Materials (M2QM)

Senior Machine Learning Scientist, Foundational ML, AI for Biology & Translation (AIBT)

Post Doctoral Research Associate

Postdoctoral Research Associate

Postdoctoral Scholar - AI in Earth and Environmental Sciences

Postdoctoral Research Associate - Hybrid Approaches in Solar Energy

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