... to molecular dynamics' modeling to ensure the team is delivering what the community needs. • ... simulator community. • Proven record to lead multi-functional dependencies, work across ...
... to molecular dynamics' modeling to ensure the team is delivering what the community needs. • ... simulator community. • Proven record to lead multi-functional dependencies, work across ...
Familiarity with molecular dynamics simulation concepts (force fields, electrostatics, neighbor lists, periodic boundary conditions) sufficient to engage credibly with both colleagues and the MD ...
Familiarity with molecular dynamics simulation concepts (force fields, electrostatics, neighbor lists, periodic boundary conditions) sufficient to engage credibly with both colleagues and the MD ...
Familiarity with molecular dynamics simulation concepts (force fields, electrostatics, neighbor lists, periodic boundary conditions) sufficient to engage credibly with both colleagues and the MD ...
Familiarity with molecular dynamics simulation concepts (force fields, electrostatics, neighbor lists, periodic boundary conditions) sufficient to engage credibly with both colleagues and the MD ...
Demonstrated expertise with molecular dynamics, Monte Carlo, and/or kinetic simulation software and frameworks (LAMMPS, GROMACS, OpenMM, HOOMD, etc.). * Solid programming skills and experience with ...
Demonstrated expertise with molecular dynamics, Monte Carlo, and/or kinetic simulation software and frameworks (LAMMPS, GROMACS, OpenMM, HOOMD, etc.). * Solid programming skills and experience with ...
... dynamics, enhanced sampling (metadynamics, replica exchange, umbrella sampling), and free energy ... in molecular simulation, including MD, enhanced sampling, and/or free energy methods using tools ...
New
... dynamics, enhanced sampling (metadynamics, replica exchange, umbrella sampling), and free energy ... in molecular simulation, including MD, enhanced sampling, and/or free energy methods using tools ...
New
Develop and apply simulation methods spanning molecular dynamics, enhanced sampling (metadynamics, replica exchange, umbrella sampling), and free energy calculations (FEP/TI) to support active drug ...
New
Develop and apply simulation methods spanning molecular dynamics, enhanced sampling (metadynamics, replica exchange, umbrella sampling), and free energy calculations (FEP/TI) to support active drug ...
New
Post-doctoral Computational Chemist, Advanced Molecular Design
Indianapolis, IN · On-site
$21 - $28.25/hr
Execute advanced quantum mechanical calculations, molecular dynamics simulations and free energy calculations to study protein motion, protein-ligand interactions, and protein-protein interactions in ...
Post-doctoral Computational Chemist, Advanced Molecular Design
Indianapolis, IN · On-site
$21 - $28.25/hr
Execute advanced quantum mechanical calculations, molecular dynamics simulations and free energy calculations to study protein motion, protein-ligand interactions, and protein-protein interactions in ...
Execute advanced quantum mechanical calculations, molecular dynamics simulations and free energy calculations to study protein motion, protein-ligand interactions, and protein-protein interactions in ...
Execute advanced quantum mechanical calculations, molecular dynamics simulations and free energy calculations to study protein motion, protein-ligand interactions, and protein-protein interactions in ...
Research Scientist I/II, Statistical Mechanics and Dynamics
Cambridge, MA · On-site
$176K - $234K/yr
Demonstrated expertise with molecular dynamics, Monte Carlo, and/or kinetic simulation software and frameworks (LAMMPS, GROMACS, OpenMM, HOOMD, etc.). * Solid programming skills and experience with ...
Research Scientist I/II, Statistical Mechanics and Dynamics
Cambridge, MA · On-site
$176K - $234K/yr
Demonstrated expertise with molecular dynamics, Monte Carlo, and/or kinetic simulation software and frameworks (LAMMPS, GROMACS, OpenMM, HOOMD, etc.). * Solid programming skills and experience with ...
Senior Software Engineer - MD Simulation Engineering
Santa Clara, CA · On-site
$143K - $189K/yr
This team builds the GPU-native simulation software that powers molecular dynamics at scale. We work at the intersection of GPU computing and computational biology - delivering high-performance math ...
Senior Software Engineer - MD Simulation Engineering
Santa Clara, CA · On-site
$143K - $189K/yr
This team builds the GPU-native simulation software that powers molecular dynamics at scale. We work at the intersection of GPU computing and computational biology - delivering high-performance math ...
This team builds the GPU-native simulation software that powers molecular dynamics at scale. We work at the intersection of GPU computing and computational biology - delivering high-performance math ...
This team builds the GPU-native simulation software that powers molecular dynamics at scale. We work at the intersection of GPU computing and computational biology - delivering high-performance math ...
This team builds the GPU-native simulation software that powers molecular dynamics at scale. We work at the intersection of GPU computing and computational biology - delivering high-performance math ...
This team builds the GPU-native simulation software that powers molecular dynamics at scale. We work at the intersection of GPU computing and computational biology - delivering high-performance math ...
Advances in big chemical data, massive computing power, artificial intelligence, and molecular dynamics simulation are changing the way we develop new drugs. At 1910 , we put computation at the heart ...
Advances in big chemical data, massive computing power, artificial intelligence, and molecular dynamics simulation are changing the way we develop new drugs. At 1910 , we put computation at the heart ...
Perform molecular dynamics simulations of chemically modified oligonucleotide duplexes and single-stranded species to characterize the structural and thermodynamic consequences of sugar, backbone ...
Perform molecular dynamics simulations of chemically modified oligonucleotide duplexes and single-stranded species to characterize the structural and thermodynamic consequences of sugar, backbone ...
Required : • PhD (or equivalent experience) in computational chemistry, chemistry, or related field with 0 - 5 years relevant experience • Knowledge of molecular dynamics simulations, binding ...
Required : • PhD (or equivalent experience) in computational chemistry, chemistry, or related field with 0 - 5 years relevant experience • Knowledge of molecular dynamics simulations, binding ...
Develop and apply scalable molecular dynamics (MD) and multiscale simulation workflows for biomolecular systems (proteins, enzymes, membranes, and complexes) * Integrate AI/ML approaches with physics ...
Develop and apply scalable molecular dynamics (MD) and multiscale simulation workflows for biomolecular systems (proteins, enzymes, membranes, and complexes) * Integrate AI/ML approaches with physics ...
Our unique focus on physics-based simulations, specifically Molecular Dynamics, allows us to help develop and deliver better medicines by reducing problem spaces even in the absence of sizable ...
Our unique focus on physics-based simulations, specifically Molecular Dynamics, allows us to help develop and deliver better medicines by reducing problem spaces even in the absence of sizable ...
Ph.d StudentResearcher Stipend
New York, NY · On-site
$48K/yr
The evaluation of the lead targets will be performed by running Molecular Dynamic Simulation to test how it's affecting the function of the ion channel in terms of ion conductance or ion influx. The ...
Ph.d StudentResearcher Stipend
New York, NY · On-site
$48K/yr
The evaluation of the lead targets will be performed by running Molecular Dynamic Simulation to test how it's affecting the function of the ion channel in terms of ion conductance or ion influx. The ...
... 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 ...
... 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 ...
Technical Development Principal Scientist - Computational Biophysics
South San Francisco, CA · On-site
$120K - $224K/yr
Our unique focus on physics-based simulations, specifically Molecular Dynamics, allows us to help develop and deliver better medicines by reducing problem spaces even in the absence of sizable ...
Technical Development Principal Scientist - Computational Biophysics
South San Francisco, CA · On-site
$120K - $224K/yr
Our unique focus on physics-based simulations, specifically Molecular Dynamics, allows us to help develop and deliver better medicines by reducing problem spaces even in the absence of sizable ...
Molecular Dynamics Simulation Internship information
See salary details
$8.65 - $9.86
2% of jobs
$9.86 - $11.06
4% of jobs
$11.06 - $12.26
14% of jobs
$12.72 is the 25th percentile. Wages below this are outliers.
$12.26 - $13.46
12% of jobs
$13.46 - $14.66
15% of jobs
The median wage is $14.84 / hr.
$14.66 - $15.87
18% of jobs
$17.03 is the 75th percentile. Wages above this are outliers.
$15.87 - $17.07
10% of jobs
$17.07 - $18.27
6% of jobs
$18.27 - $19.47
8% of jobs
$19.47 - $20.67
5% of jobs
$20.67 - $21.87
5% of jobs
$8
$15
$21
How much do molecular dynamics simulation internship jobs pay per hour?
As of Jun 14, 2026, the average hourly pay for molecular dynamics simulation internship 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 are typical responsibilities for a Molecular Dynamics Simulation Intern during their internship?
As a Molecular Dynamics Simulation Intern, your typical responsibilities may include assisting with setting up and running simulations, analyzing molecular behavior and data, and contributing to the development or optimization of simulation protocols. You will often work closely with senior researchers or computational scientists, participate in project meetings, and document your findings. Interns may also be tasked with troubleshooting code, keeping up with scientific literature, and preparing presentations or reports on their work. This hands-on experience helps you develop key technical and collaborative skills valued in both industry and research careers.
What are the key skills and qualifications needed to thrive in the Molecular Dynamics Simulation Internship position, and why are they important?
To thrive as a Molecular Dynamics Simulation Intern, you need a solid foundation in chemistry, physics, and computational modeling, typically supported by progress toward a degree in a related field. Familiarity with simulation software such as GROMACS, AMBER, or LAMMPS, along with programming skills in Python or C++, is often required. Strong analytical thinking, attention to detail, and effective teamwork and communication skills help you excel in a collaborative research environment. These competencies enable interns to contribute meaningfully to complex simulation projects, interpret results accurately, and work efficiently within multidisciplinary teams.
What is a Molecular Dynamics Simulation Internship job?
A Molecular Dynamics Simulation Internship involves using computational techniques to model and analyze the behavior of molecules over time. Interns typically work with software tools like GROMACS, LAMMPS, or AMBER to simulate physical movements of atoms and molecules. These simulations help researchers understand properties such as protein folding, material behavior, or drug interactions. Interns often analyze data, optimize simulation parameters, and may assist in writing reports or research papers. This role is ideal for students with a background in chemistry, physics, bioinformatics, or related fields.
More about Molecular Dynamics Simulation Internship jobs
What cities are hiring for Molecular Dynamics Simulation Internship jobs? Cities with the most Molecular Dynamics Simulation Internship job openings:
What are the most commonly searched types of Molecular Dynamics Simulation jobs? The most popular types of Molecular Dynamics Simulation jobs are:
What states have the most Molecular Dynamics Simulation Internship jobs? States with the most job openings for Molecular Dynamics Simulation Internship jobs include:
What job categories do people searching Molecular Dynamics Simulation Internship jobs look for? The top searched job categories for Molecular Dynamics Simulation Internship jobs are:
Job description
Job Summary:
NVIDIA is a leader in computer graphics and AI technology, seeking a hands-on technical manager for their MD Simulation Engineering team. The role involves leading engineers to develop GPU-native simulation software and collaborating with the scientific community to enhance biological simulations.
Responsibilities:
• Lead, hire, and develop software engineers within a collaborative unit; build a culture of ownership, engineering excellence, and direct collaboration with researchers and authorities in the field.
• Define vision, strategy, and roadmap for the division's GPU-accelerated simulation software.
• Own end-to-end delivery across multiple workstreams; align partners, lead cross-team dependencies, and drive predictable execution.
• Partner with Applied Science teams to translate research prototypes into production-quality, benchmarked software.
• Build and maintain relationships with the community dedicated to molecular dynamics' modeling to ensure the team is delivering what the community needs.
• Drive engineering completion: code quality, CI/CD, multi-SKU validation, and documentation standards.
• Communicate progress, risks, and decisions clearly.
Qualifications:
Required:
• 8+ overall years of software engineering experience, including 3+ years being responsible for an engineering team with direct reports.
• Strong technical foundation in GPU computing and high-performance scientific software; ability to review builds, influence architectural directions, and maintain a high engineering standard across the team's work.
• Experience shipping production GPU libraries, scientific computing software, or developer-facing APIs — you understand what it takes to go from prototype to a product that external developers depend on.
• Familiarity with molecular dynamics simulation concepts (force fields, electrostatics, neighbor lists, periodic boundary conditions) sufficient to engage credibly with both colleagues and the MD simulator community.
• Proven record to lead multi-functional dependencies, work across interpersonal boundaries without direct authority, and communicate technical progress clearly to senior leadership.
• BS/MS in Computer Science, Computational Science, Physics, Chemistry, or a related field, or equivalent experience.
Preferred:
• You have shipped a GPU-accelerated scientific computing library or supplied to a major open-source MD simulation engine.
• PhD-level education or comparable experience in computational chemistry, biophysics, applied mathematics, or computer science with a focus on HPC or scientific computing.
• Experience with GPU compiler toolchains or kernel delivery mechanisms.
• You have worked across the boundary between applied science and engineering — taking algorithmic research and turning it into a shipped, benchmarked product.
• Active engagement in the MD simulation or computational chemistry community through publications, conference talks, or open-source contributions.
Company:
NVIDIA is a computing platform company operating at the intersection of graphics, HPC, and AI. Founded in 1993, the company is headquartered in Santa Clara, USA, with a team of 10001+ employees. The company is currently Late Stage.
NVIDIA is a leader in computer graphics and AI technology, seeking a hands-on technical manager for their MD Simulation Engineering team. The role involves leading engineers to develop GPU-native simulation software and collaborating with the scientific community to enhance biological simulations.
Responsibilities:
• Lead, hire, and develop software engineers within a collaborative unit; build a culture of ownership, engineering excellence, and direct collaboration with researchers and authorities in the field.
• Define vision, strategy, and roadmap for the division's GPU-accelerated simulation software.
• Own end-to-end delivery across multiple workstreams; align partners, lead cross-team dependencies, and drive predictable execution.
• Partner with Applied Science teams to translate research prototypes into production-quality, benchmarked software.
• Build and maintain relationships with the community dedicated to molecular dynamics' modeling to ensure the team is delivering what the community needs.
• Drive engineering completion: code quality, CI/CD, multi-SKU validation, and documentation standards.
• Communicate progress, risks, and decisions clearly.
Qualifications:
Required:
• 8+ overall years of software engineering experience, including 3+ years being responsible for an engineering team with direct reports.
• Strong technical foundation in GPU computing and high-performance scientific software; ability to review builds, influence architectural directions, and maintain a high engineering standard across the team's work.
• Experience shipping production GPU libraries, scientific computing software, or developer-facing APIs — you understand what it takes to go from prototype to a product that external developers depend on.
• Familiarity with molecular dynamics simulation concepts (force fields, electrostatics, neighbor lists, periodic boundary conditions) sufficient to engage credibly with both colleagues and the MD simulator community.
• Proven record to lead multi-functional dependencies, work across interpersonal boundaries without direct authority, and communicate technical progress clearly to senior leadership.
• BS/MS in Computer Science, Computational Science, Physics, Chemistry, or a related field, or equivalent experience.
Preferred:
• You have shipped a GPU-accelerated scientific computing library or supplied to a major open-source MD simulation engine.
• PhD-level education or comparable experience in computational chemistry, biophysics, applied mathematics, or computer science with a focus on HPC or scientific computing.
• Experience with GPU compiler toolchains or kernel delivery mechanisms.
• You have worked across the boundary between applied science and engineering — taking algorithmic research and turning it into a shipped, benchmarked product.
• Active engagement in the MD simulation or computational chemistry community through publications, conference talks, or open-source contributions.
Company:
NVIDIA is a computing platform company operating at the intersection of graphics, HPC, and AI. Founded in 1993, the company is headquartered in Santa Clara, USA, with a team of 10001+ employees. The company is currently Late Stage.
About Nvidia
Sourced by ZipRecruiter
NVIDIA has been transforming computer graphics, PC gaming, and accelerated computing for more than 25 years. It's a unique legacy of innovation that's fueled by great technology--and amazing people. Today, we're tapping into the unlimited potential of AI to define the next era of computing. An era in which our GPU acts as the brains of computers, robots, and self-driving cars that can understand the world. Doing what's never been done before takes vision, innovation, and the world's best talent.
Industry
Computer and electronic product manufacturing
Company size
10,000+ Employees
Headquarters location
Santa Clara, CA, US
Year founded
1993