Fulltime Molecular Simulation Jobs (NOW HIRING)

Position Details
Position Information
Recruitment/Posting Title
Postdoc - Drug Discovery Development and Application Scientist
Department
Quantitative Biomedicine Inst
Salary Details
$63,968 Minimum
Offer Information
The final salary offer may be determined by several factors, including, but not limited to, the candidate's qualifications, experience, and expertise, and availability of department or grant funds to support the position. We also take into consideration market benchmarks, if and when appropriate, and internal equity to ensure fair compensation relative to the university's broader compensation structure. We are committed to offering competitive and flexible compensation packages to attract and retain top talent.
Benefits
Rutgers offers a comprehensive benefits package to eligible employees, based on position, which includes:

• Medical, prescription drug, and dental coverage
• Paid vacation, holidays, and various leave programs
• Competitive retirement benefits, including defined contribution plans and voluntary tax-deferred savings options
• Employee and dependent educational benefits
• Life insurance coverage
• Employee discounts programs

For detailed information on benefits and eligibility, please visit: http://uhr.rutgers.edu/benefits/benefits-overview.
Posting Summary
The Laboratory for Biomolecular Simulation Research (http://lbsr.rutgers.edu) and Institute for Quantitative Biomedicine (https://iqb.rutgers.edu/) at Rutgers, the State University of New Jersey, is in search of a postdoctoral-level drug discovery application scientist. Our current endeavor involves an exciting NIH-funded project aimed at developing a state-of-the-art next-generation simulation package. We are actively seeking a skilled and enthusiastic researcher to join our team. As part of this opportunity, you will be able to:
• Contribute cutting-edge research in biomolecular simulations, gaining valuable practical experience and expanding your expertise in this field.
• Establish connections within the dynamic simulation community, fostering strong networks with other academic and industrial researchers, especially those involved in molecular simulation-based computer-aided drug discovery.
This position is ideally suited for individuals with career aspirations as application scientists within the drug-discovery field.
Position Status
Full Time
Posting Number
26FA0457
Posting Open Date
05/05/2026
Posting Close Date
Qualifications
Minimum Education and Experience
Applicants must hold a PhD in computational chemistry or closely related fields, have a deep working knowledge of theoretical/computational chemistry, and a solid publication track record.
Certifications/Licenses
Required Knowledge, Skills, and Abilities

• Working knowledge of protein-ligand interactions, in silico drug design/optimization, MD simulation theories, and applications.
• Familiarity with at least one of the following simulation packages: AMBER, GROMACS, OpenMM, CHARMM, and the ability to independently perform MD and free energy simulations
• Familiarity with or a willingness to learn CI/CD, documentation, and other aspects of GitLab.

Preferred Qualifications
Equipment Utilized
AMBER, OpenMM, and GROMACS simulation packages, relevant molecular simulation analysis tools, Python programming language, and GitLab environment.
Physical Demands and Work Environment

• Predominantly operates in an office environment using a computer workstation and laptop computer, participates in both physical and virtual team meetings, and periodically attends workshops and conferences that entail domestic or international travel.
• Remote work, with regularly scheduled in-person reporting to the PI, is possible through mutual agreement.

Overview
The successful applicant is expected to perform the following:

• Explore drug-discovery problems with the PI's new SAMTI approach (10.1021/acs.jpcb.5c05358).
• Collaborate with academic and industrial users to perform simulations for drug-discovery projects and to create and maintain software requirement documents for our next-generation simulation package.
• Actively monitor the AMBER user forum email list regularly and provide timely responses and support to users on the forum, according to the Principal Investigator's (PI) guidance.
• Conduct beta tests and meticulously document test records/reports for newly implemented features in the AMBER and upcoming simulation packages.
• Maintain a centralized information-sharing website for all the above tasks.

Statement
Posting Details
Special Instructions to Applicants
Quick Link to Posting
https://jobs.rutgers.edu/postings/274351
Campus
Rutgers University-New Brunswick
Home Location Campus
Busch (RU-New Brunswick)
City
Piscataway
State
NJ
Location Details
Pre-employment Screenings
All offers of employment are contingent upon successful completion of all pre-employment screenings.
Immunization Requirements
Under Policy 100.3.1 Immunization Policy for Covered Individuals, if employment will commence during Flu Season, Rutgers University may require certain prospective employees to provide proof that they are vaccinated against Seasonal Influenza for the current Flu Season, unless the University has granted the individual a medical or religious exemption. Additional infection control and safety policies may apply. Prospective employees should speak with their hiring manager to determine which policies apply to the role or position for which they are applying. Failure to provide proof of vaccination for any required vaccines or obtain a medical or religious exemption from the University will result in rescission of a candidate's offer of employment or disciplinary action up to and including termination.
Equal Employment Opportunity Statement
It is university policy to provide equal employment opportunity to all its employees and applicants for employment regardless of their race, creed, color, national origin, age, ancestry, nationality, marital or domestic partnership or civil union status, sex, pregnancy, gender identity or expression, disability status, liability for military service, protected veteran status, affectional or sexual orientation, atypical cellular or blood trait, genetic information (including the refusal to submit to genetic testing), or any other category protected by law. As an institution, we encourage all qualified applicants to apply. For additional information please see the Non-Discrimination Statement at the following web address: http://uhr.rutgers.edu/non-discrimination-statement