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Associate Computational Chemistry Jobs (NOW HIRING)

Virginia Tech

Postdoctoral Associate

Blacksburg, VA · On-site

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

NorthEastern

Postdoctoral Research Associate

Boston, MA · On-site

$60K - $85K/yr

About the Opportunity Job Summary The Dong Theoretical and Computational Chemistry Lab at Northeastern University seeks enthusiastic postdoctoral researchers to join as soon as possible. The research ...

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Associate Computational Chemistry information

What is an associate computational chemist?

Associate Computational Chemists are entry- to mid-level professionals who use computer simulations, modeling, and theoretical methods to study chemical systems and predict molecular behavior. They often work closely with laboratory chemists to design experiments, analyze data, and help develop new materials or pharmaceuticals. Their role typically involves using specialized software to perform quantum mechanics, molecular dynamics, or cheminformatics calculations, supporting research projects in academia, industry, or government. This position usually requires a strong background in chemistry, computer science, and mathematics, as well as experience with programming and scientific computing.

What are the key skills and qualifications needed to thrive as an associate computational chemist?

To thrive as an Associate Computational Chemist, you need a strong background in chemistry, molecular modeling, and data analysis, typically supported by a relevant degree such as a PhD or MSc in chemistry, biochemistry, or a related field. Familiarity with computational tools like Schrödinger, Gaussian, MOE, and programming languages such as Python or R is essential, along with experience in molecular dynamics and quantum chemistry software. Strong problem-solving abilities, attention to detail, and effective communication skills help you collaborate with multidisciplinary teams and clearly present complex findings. These skills and qualities are crucial for successfully driving drug discovery and research projects by translating computational insights into actionable experimental strategies.

What are some common challenges faced by associate computational chemists when collaborating with experimental teams?

Associate Computational Chemists often work closely with experimental chemists to validate predictions and design new compounds. One common challenge is effectively communicating complex computational results in a way that is actionable for experimental colleagues, especially when data may suggest unexpected outcomes. Additionally, aligning computational timelines with experimental priorities can require flexibility and proactive project management. Building strong interdisciplinary relationships and maintaining open communication channels are key to overcoming these challenges and driving successful project outcomes.

What is the difference between Associate Computational Chemistry vs Computational Chemist?

AspectAssociate Computational ChemistryComputational Chemist
Required CredentialsBachelor's or Master's in Chemistry, Chemistry-related field, or Computational ChemistryBachelor's, Master's, or Ph.D. in Chemistry, Computational Chemistry, or related field
Work EnvironmentResearch labs, pharmaceutical companies, academia, industryResearch labs, pharmaceutical companies, academia, industry
Employer & Industry UsageEntry-level, supporting senior staff, data analysis, modelingMid to senior level, leading projects, developing models, data interpretation

Associate Computational Chemistry roles are typically entry-level positions supporting senior computational chemists. They focus on data analysis, modeling, and supporting research projects. Computational Chemists usually hold more experience or advanced degrees, leading modeling efforts and developing new computational methods. Both roles are common in research-driven industries like pharmaceuticals and academia, but the associate role is more focused on learning and supporting, while the computational chemist takes on more independent responsibilities.

Is computational chemistry in demand?

Computational chemistry is in demand across industries such as pharmaceuticals, materials science, and chemical research, as companies seek to accelerate drug discovery and product development using modeling and simulation tools. The role of an Associate Computational Chemist often requires proficiency in software like Gaussian or Schrödinger and a strong background in chemistry and programming. Growing reliance on data analysis and high-performance computing continues to increase job opportunities in this field.

What can you do with an associate computational chemistry degree?

An associate computational chemistry degree prepares individuals for entry-level roles such as laboratory technician, research assistant, or computational analyst in pharmaceutical, chemical, or biotech industries. It provides foundational skills in chemistry, programming, and data analysis, often utilizing tools like molecular modeling software. These roles typically require strong analytical skills and familiarity with scientific software environments.
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Associate Computational Chemistry jobs near you
Infographic showing various Associate Computational Chemistry job openings in the United States as of August 2026, with employment types broken down into 1% As Needed, 68% Full Time, 29% Part Time, 1% Temporary, and 1% Contract. Highlights an 97% Physical, 1% Hybrid, and 2% Remote job distribution.

Academic Rank/Depends on Qualifications

University of Nebraska Medical Center

Omaha, NE • On-site

Full-time

Re-posted 13 days ago

University Of Nebraska Medical Center rating

8.5

Company rating: 8.5 out of 10

Based on 15 frontline employees who took The Breakroom Quiz

55th of 1,060 rated hospitals

Job description

Requisition Details
GENERAL REQUISITION INFORMATION
EEO Statement:
UNMC is an Equal Employment Opportunity Employer, including an equal opportunity employer of protected veterans and individuals with disabilities.
Location
Omaha, NE
Requisition Number:
2026 - 133
Department
COP Pharmaceutical Science 50000722
Business Unit(College/Institute)
College of Pharmacy
FTE:
100
Reg-Temp
Full-Time Regular
Work Schedule
M-F 8am-4:30pm
Requisition Category
Faculty
Requisition Title
Academic Rank/Depends on Qualifications
Job Title/Academic Rank
Faculty position - Academic Rank DOQ
Additional Requisition Title
Appointment Type
DOQ - DEPENDS ON QUALS
Salary Range
Salary Commensurate with Experience
Job/EEO Category
Faculty
Job Requisition Begin Date
03/27/2026
Position Qualification
Position Summary
Tenure-leading Faculty Position in the Department of Pharmaceutical Sciences at the University of Nebraska Medical Center
The Department of Pharmaceutical Sciences at the University of Nebraska Medical Center (UNMC) seeks outstanding applicants for a tenure-leading, twelve-month faculty position at the rank of Assistant Professor or Associate Professor. We seek an innovative and collaborative scientist whose research integrates computational approaches to advance any area of the drug discovery process such as medicinal chemistry and chemical biology.
We are seeking candidates who will develop and apply computational approaches to understand, design, and optimize bioactive molecules and chemical probes. Applicants should have demonstrated productivity within their area of expertise and the potential to build a nationally recognized, externally funded research program and contribute to interdisciplinary teaching and training programs in medicinal chemistry and drug discovery.
Candidates must have strong expertise in at least one of the following areas:
  • Use of Artificial intelligence for De-Novo molecular design
  • Machine learning/Neuronal networks to develop novel drug discovery tools
  • Molecular modeling and simulation
  • Theoretical biophysical medicinal chemistry
  • Deep learning-based approaches to advanced molecular design
  • Network Pharmacology
  • Quantum computing
  • Hybrid In Silico/In Vitro Pipelines
  • Work at the interface of medicinal chemistry and computational approaches

Responsibilities
  • Establish and maintain an externally funded, high-impact research program
  • Develop innovative computational and/or hybrid computational-experimental drug discovery methods
  • Teach undergraduate, graduate and professional courses in medicinal chemistry and related areas and develop undergraduate, graduate, and/or professional courses in their area of research expertise.
  • Mentor graduate students, postdoctoral fellows, and professional trainees
  • Contribute to interdisciplinary research and training initiatives
  • Participate in departmental and institutional service

Application requirements
• A cover letter describing interest for the position
• Current curriculum vitae including a complete list of publications
• Concise four-page description of research plans
• One-page teaching philosophy
• The applicant must provide the names and contact information of at least three references
The documents containing the research plans, teaching philosophy, and references should be uploaded as an "other document".
Applications must be submitted online at: jobs@unmc.edu. Review of applications will begin immediately and will continue until the position is filled. For full consideration, applications should be received by July 15, 2026. Applications will be received and considered until the position is filled. Expected start date is Spring 2027.
Relevant inquiries may be directed to the Chair of the Search Committee, Martin Conda Sheridan, at martin.condasheridan@unmc.edu.
Required Qualifications
  • PhD in Medicinal Chemistry, Computational Chemistry, Chemical Biology, Pharmaceutical Sciences, Chemistry, or a closely related field
  • Postdoctoral training or equivalent
  • Evidence of securing external funding

Strong publication record in peer-reviewed journals
Supplemental Qualifications
  • Experience applying AI/ML methods to molecular or drug discovery problems
  • Expertise in molecular modeling, cheminformatics, or simulation
  • Experience with generative or predictive molecular design methods
  • Integration of computational and experimental medicinal chemistry
  • Collaborative and interdisciplinary research experience
  • Teaching experience in medicinal chemistry or computational chemistry related to drug discovery

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