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Internship Molecular Simulation Jobs (NOW HIRING)

1910

Computational Theoretical Chemist I

Boston, MA · On-site

... molecular dynamics simulations are changing the way we develop new drugs. At 1910 , we put ... Relevant industry experience via internship and co-op * Publication records in computational ...

UAB NOVA RENT

SCIENTIST III

Birmingham, AL · On-site

... interns toward achieving lab and project goals. * Funding Opportunities: Identifying and ... Hands-on experience with novel AI approaches to molecular dynamics simulations, protein/antibody ...

UAB

SCIENTIST III

Tampa, FL

... interns toward achieving lab and project goals. * Funding Opportunities: Identifying and ... Hands-on experience with novel AI approaches to molecular dynamics simulations, protein/antibody ...

University of Alabama at Birmingham

SCIENTIST III

Tampa, FL · On-site

$80.30 - $133.30/hr

... interns toward achieving lab and project goals. * Funding Opportunities: Identifying and ... Hands‑on experience with novel AI approaches to molecular dynamics simulations, protein/antibody ...

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Internship Molecular Simulation information

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How much do internship molecular simulation jobs pay per hour?

As of Aug 22, 2026, the average hourly pay for internship molecular simulation in the United States is $15.54, according to ZipRecruiter salary data. Most workers in this role earn between $12.50 and $17.55 per hour, depending on experience, location, and employer.

What is an internship in molecular simulation?

An Internship in Molecular Simulation is a temporary position, usually for students or recent graduates, where individuals learn and contribute to projects involving computational modeling of molecules and their interactions. Interns typically use specialized software and algorithms to simulate the behavior of biological or chemical systems at the molecular level. These internships provide hands-on experience in computational chemistry, physics, or biology, and often involve programming, data analysis, and collaboration with research teams. The goal is to gain practical skills, expand knowledge in molecular modeling, and explore potential career paths in research or industry.

What do I do during an internship in molecular simulation?

As an intern in molecular simulation, you'll typically work on projects involving computational modeling of molecular systems, such as proteins, polymers, or materials. Your daily tasks may include setting up and running simulations using specialized software, analyzing simulation data, and collaborating with research scientists to interpret results. You'll also have opportunities to participate in team meetings, present your findings, and potentially contribute to publications or ongoing research. The work environment is often collaborative, with mentorship from experienced researchers and regular feedback to help you develop technical and analytical skills.

What are the key skills and qualifications needed for an internship in molecular simulation?

To thrive in an Internship Molecular Simulation, you generally need a solid background in chemistry, physics, or related fields, along with coursework in computational modeling. Familiarity with molecular simulation software (such as GROMACS or LAMMPS), coding skills in Python or C++, and experience with data analysis tools are typically required. Strong problem-solving abilities, attention to detail, and the ability to communicate scientific findings clearly are valuable soft skills. These competencies enable interns to effectively contribute to research projects, analyze complex molecular data, and collaborate within interdisciplinary teams.

What is the difference between Internship Molecular Simulation vs Research Assistant in Molecular Biology?

AspectInternship Molecular SimulationResearch Assistant in Molecular Biology
Required CredentialsUndergraduate or early graduate level, basic knowledge of chemistry and computer scienceUndergraduate or graduate level, background in biology or biochemistry
Work EnvironmentComputational labs, software development, data analysisWet labs, experimental procedures, data collection
Employer & Industry UsagePharmaceutical, biotech, academia, research institutionsAcademic labs, research institutes, biotech companies
Common Search & Comparison IntentUnderstanding internship roles in molecular simulationExploring research assistant roles in molecular biology

Internship Molecular Simulation focuses on computational modeling and software-based research, ideal for those with programming skills. Research Assistant in Molecular Biology involves hands-on lab work and biological experiments. Both roles support scientific research but differ in environment and skill set required.

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Internship Molecular Simulation jobs near you
Infographic showing various Internship Molecular Simulation job openings in the United States as of August 2026, with employment types broken down into 10% Internship, 56% Full Time, 32% Part Time, 1% Temporary, and 1% Contract. Highlights an 77% Physical, 2% Hybrid, and 21% Remote job distribution, with an average salary of $32,333 per year, or $15.5 per hour.

Consultant Scientist, Computer Aided Drug Design (CADD)

Psivant Therapeutics, Inc.

Watertown, MA • On-site

$150K - $185K/yr

Contractor

Posted 18 days ago

Job description

PsiThera is seeking a consultant computational medicinal chemist with expertise in drug discovery, molecular simulations and AI/ML to join our dynamic, multidisciplinary team.  Our science, our team, and our mission are focused on applying advanced computational technologies to progress a pipeline of innovative medicines for patients.  We are looking for a self-motivated individual who thrives in a fast-paced, highly collaborative environment that integrates computational and wet lab capabilities to drive our programs to the clinic.  The ideal candidate will utilize advanced computational strategies across all stages of drug discovery, including hit identification, hit-to-lead and lead optimization.  In addition, a successful candidate will have a demonstrable pharma/biotech industry record using computational methods to advance drug discovery projects, analyze simulation and AI/ML results, derive actionable hypotheses and effectively communicate findings to the team.  This individual will report to the Senior Director of CADD and collaborate closely across functions including experimental medicinal chemistry, structural biology, and application engineering teams to provide actionable insights and strategic guidance.
Key Responsibilities
  • Design small molecule (and related modality) therapeutics using structural/simulation/ML/assay data, ensuring alignment with the requirements and timelines of our drug discovery projects, and leading computational analysis and design activities on cross-functional projects.
  • Integrate knowledge of relevant computational tools and approaches, as well as key aspects of medicinal chemistry and compound property optimization, for all project stages from target selection and druggability analysis to clinical candidate nomination.
  • Collaborate with the computational development team to align priorities between platform application development and R&D projects.
  • Develop modifications and drive improvements in internal applications, building on our internal physics-based simulation capabilities and assessment of fidelity and accuracy of calculations.
  • Train and mentor team members across the organization to build understanding of modeling and AI/ML concepts and how they address project team needs.
Requirements
  • PhD in computational chemistry, organic or physical chemistry, physics, or a closely related field
  • Minimum of 5 years computer-aided drug design (CADD) or related biotech/pharma experience, with expertise accelerating small molecule drug discovery projects from target tractability and hit identification, through lead optimization (demonstrated by peer reviewed publications and inventorship status on patent applications)
  • Demonstrated experience and understanding of physics-based, AI/ML, and generative computational approaches to drug discovery
  • Excellent communication and collaboration skills, with the ability to work well in a multidisciplinary environment
  • Excellent organizational skills and attention to detail, with a strong passion for learning new concepts and technologies
Additional Qualifications
  • Proficiency in scientific programming (e.g. Python, R, C++)
  • Proficiency in molecular simulation packages (e.g. AMBER, OpenMM, NAMD, Gromacs)
  • Proficiency in data science and machine learning tools (e.g. scikit-learn, pytorch)
  • Experience mentoring interns, co-ops, and junior scientists
$150,000 - $185,000 a year
About PsiThera
PsiThera is creating better therapeutics through an integrated molecular design paradigm that leverages best-in-class physics-based and AI technologies honed through decades of research and innovation.  Our focus is first-in-class inflammation and immunology (I&I) small molecule therapeutics. We have assembled a diverse team with extensive experience across disciplines ranging from physics and computer science to chemistry, biology, biochemistry, and structural biology.  This continuum of complementary skills drives our scientific vision to deliver meaningful therapeutics to patients in need.  We are patient-inspired, perseverant, synergistic, supportive, intrepid, and inclusive.  If you're passionate about advancing medicine in a fast-paced, innovative environment, and eager to contribute to a team that blends advanced computation with drug discovery, Psivant might be the perfect fit for you.
 
At PsiThera, we are a lean, high-performing team dedicated to pushing boundaries and achieving growth-both personally and scientifically.  We seek individuals who are smart, collaborative, and thrive in a dynamic, early-stage biotech environment.
 
Read More About Us
       Our Story:            Company - PsiThera
       Team:                    Team and Leadership - Company - PsiThera
 
PsiThera is proud to be an Equal Opportunity Employer, committed to fostering an inclusive and diverse workplace. We comply with all applicable laws and regulations, ensuring that all qualified applicants receive consideration for employment without regard to race, color, religion, gender, sexual orientation, gender identity or expression, national origin, age, disability, veteran status, genetic information, or any other legally protected status.
 
Please note that we do not accept unsolicited resumes and kindly request that recruiters do not contact our team regarding this job posting. If a resume is submitted without a prior agreement, we will not be obligated to pay any referral or placement fees. Thank you for your understanding!
 
We may use artificial intelligence (AI) tools to support parts of the hiring process, such as reviewing applications, analyzing resumes, or assessing responses and identifying potential inconsistencies or verification signals in application materials based on available information. These tools assist our recruitment team but do not replace human judgment. Final hiring decisions are ultimately made by humans. If you would like more information about how your data is processed, please contact us.
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