Familiarity with molecular dynamics simulation concepts (force fields, electrostatics, neighbor ... Ways to Stand Out from the Crowd: * You have shipped a GPU-accelerated scientific computing library ...
Familiarity with molecular dynamics simulation concepts (force fields, electrostatics, neighbor ... Ways to Stand Out from the Crowd: * You have shipped a GPU-accelerated scientific computing library ...
Familiarity with molecular dynamics simulation concepts (force fields, electrostatics, neighbor ... Ways to Stand Out from the Crowd: * You have shipped a GPU-accelerated scientific computing library ...
Familiarity with molecular dynamics simulation concepts (force fields, electrostatics, neighbor ... Ways to Stand Out from the Crowd: * You have shipped a GPU-accelerated scientific computing library ...
Postdoctoral Research Associate, Atomistic Simulations & AI-Driven Molecular Modeling
Oak Ridge, TN · On-site
Responsibilities : • Develop and apply scalable molecular dynamics (MD) and multiscale simulation ... Oak Ridge National Laboratory holds a range of R&D assignments, from fundamental nuclear physics to ...
Postdoctoral Research Associate, Atomistic Simulations & AI-Driven Molecular Modeling
Oak Ridge, TN · On-site
Responsibilities : • Develop and apply scalable molecular dynamics (MD) and multiscale simulation ... Oak Ridge National Laboratory holds a range of R&D assignments, from fundamental nuclear physics to ...
Develop and apply scalable molecular dynamics (MD) and multiscale simulation workflows for ... This position requires the ability to obtain and maintain a clearance from the Department of Energy.
Develop and apply scalable molecular dynamics (MD) and multiscale simulation workflows for ... This position requires the ability to obtain and maintain a clearance from the Department of Energy.
Develop and apply scalable molecular dynamics (MD) and multiscale simulation workflows for ... This position requires the ability to obtain and maintain a clearance from the Department of Energy.
Develop and apply scalable molecular dynamics (MD) and multiscale simulation workflows for ... This position requires the ability to obtain and maintain a clearance from the Department of Energy.
Computational Chemist
San Francisco, CA · On-site
Design and run molecular dynamics simulations, applying enhanced sampling methods to characterize ... Exposure to early-stage drug discovery programs, from target identification to lead optimization
Computational Chemist
San Francisco, CA · On-site
Design and run molecular dynamics simulations, applying enhanced sampling methods to characterize ... Exposure to early-stage drug discovery programs, from target identification to lead optimization
ML Research Scientist - Atomistic Simulation Models
New York, NY · On-site
$164K - $259K/yr
... AI/ML and molecular simulation to reimagine small molecule drug discovery. * Advance new ... Own impact end-to-end from model conception to sampler design to prospective design tools. * Work ...
ML Research Scientist - Atomistic Simulation Models
New York, NY · On-site
$164K - $259K/yr
... AI/ML and molecular simulation to reimagine small molecule drug discovery. * Advance new ... Own impact end-to-end from model conception to sampler design to prospective design tools. * Work ...
Postdoctoral researcher in AI-driven Molecular Design
Los Alamos, NM · On-site +1
$44K - $60K/yr
Implement high-throughput workflows for molecular property prediction and simulation * Publish ... examples from your academic and research experience. * Evaluation of applications will commence ...
Postdoctoral researcher in AI-driven Molecular Design
Los Alamos, NM · On-site +1
$44K - $60K/yr
Implement high-throughput workflows for molecular property prediction and simulation * Publish ... examples from your academic and research experience. * Evaluation of applications will commence ...
Postdoctoral researcher in AI-driven Molecular Design
Los Alamos, NM · On-site
$44K - $60K/yr
Implement high-throughput workflows for molecular property prediction and simulation * Publish ... examples from your academic and research experience. * Evaluation of applications will commence ...
Postdoctoral researcher in AI-driven Molecular Design
Los Alamos, NM · On-site
$44K - $60K/yr
Implement high-throughput workflows for molecular property prediction and simulation * Publish ... examples from your academic and research experience. * Evaluation of applications will commence ...
... molecular simulation-based computer-aided drug discovery. This position is ideally suited for ... Home Location Campus Busch (RU-New Brunswick) City Piscataway State NJ Location Details Pre ...
... molecular simulation-based computer-aided drug discovery. This position is ideally suited for ... Home Location Campus Busch (RU-New Brunswick) City Piscataway State NJ Location Details Pre ...
CADD / Application Scientist
New York, NY · On-site
... for molecular simulation that can make the chemical and biological systems behind drug discovery more learnable, predictable, and designable. You will be part of the journey from our first protein ...
CADD / Application Scientist
New York, NY · On-site
... for molecular simulation that can make the chemical and biological systems behind drug discovery more learnable, predictable, and designable. You will be part of the journey from our first protein ...
... throughput molecular simulation to search chemical space and prioritize compounds with ... Start from existing methods and code bases (for example FEP, TI, and related alchemical / free ...
... throughput molecular simulation to search chemical space and prioritize compounds with ... Start from existing methods and code bases (for example FEP, TI, and related alchemical / free ...
This role will bridge molecular simulation, cheminformatics, and machine learning to generate ... from the medicinal chemistry team * Build and apply cheminformatics descriptors and QSAR/QSPR ...
This role will bridge molecular simulation, cheminformatics, and machine learning to generate ... from the medicinal chemistry team * Build and apply cheminformatics descriptors and QSAR/QSPR ...
Research/Sr. Research Investigator, Computational Chemistry
Wilmington, DE · On-site
$95K - $121K/yr
... making from target validation through hit identification and lead optimization • Apply and ... molecular simulation, CADD, or drug discovery applications • Demonstrated experience applying ...
Research/Sr. Research Investigator, Computational Chemistry
Wilmington, DE · On-site
$95K - $121K/yr
... making from target validation through hit identification and lead optimization • Apply and ... molecular simulation, CADD, or drug discovery applications • Demonstrated experience applying ...
Research/Sr. Research Investigator, Computational Chemistry
Wilmington, DE · On-site +1
$95K - $121K/yr
... making from target validation through hit identification and lead optimization * Apply and ... Deep expertise in molecular dynamics (MD) simulations, including system setup, execution, enhanced ...
Research/Sr. Research Investigator, Computational Chemistry
Wilmington, DE · On-site +1
$95K - $121K/yr
... making from target validation through hit identification and lead optimization * Apply and ... Deep expertise in molecular dynamics (MD) simulations, including system setup, execution, enhanced ...
Lead Software Developer - GPU-accelerated Free Energy Simulation and Machine Learning Methods
Piscataway, NJ · On-site
$93K/yr
In addition, training in the use of molecular simulation methods is requisite, particularly ... Home Location Campus Busch (RU-New Brunswick) City Piscataway State NJ Location Details Pre ...
Lead Software Developer - GPU-accelerated Free Energy Simulation and Machine Learning Methods
Piscataway, NJ · On-site
$93K/yr
In addition, training in the use of molecular simulation methods is requisite, particularly ... Home Location Campus Busch (RU-New Brunswick) City Piscataway State NJ Location Details Pre ...
Implement model architectures both from the literature and developed in collaboration with our in-house researchers that push the boundaries of molecular simulation. * Enable agent-driven research ...
Implement model architectures both from the literature and developed in collaboration with our in-house researchers that push the boundaries of molecular simulation. * Enable agent-driven research ...
Implement model architectures both from the literature and developed in collaboration with our in-house researchers that push the boundaries of molecular simulation. * Enable agent-driven research ...
Implement model architectures both from the literature and developed in collaboration with our in-house researchers that push the boundaries of molecular simulation. * Enable agent-driven research ...
Implement model architectures both from the literature and developed in collaboration with our in-house researchers that push the boundaries of molecular simulation. * Enable agent-driven research ...
Implement model architectures both from the literature and developed in collaboration with our in-house researchers that push the boundaries of molecular simulation. * Enable agent-driven research ...
... care close to home. By offering cutting-edge treatments, innovative research, and a patient ... from an accredited institution. * Experience working in a CLIA-certified molecular laboratory.
... care close to home. By offering cutting-edge treatments, innovative research, and a patient ... from an accredited institution. * Experience working in a CLIA-certified molecular laboratory.
From Home Molecular Simulation information
See salary details
$11K - $19.4K
0% of jobs
$19.4K - $27.8K
0% of jobs
$27.8K - $36.2K
0% of jobs
$36.2K - $44.6K
0% of jobs
$44.6K - $53K
0% of jobs
$53K - $61.5K
0% of jobs
$65.5K is the 25th percentile. Wages below this are outliers.
$61.5K - $69.9K
52% of jobs
$69.9K - $78.3K
15% of jobs
$78.3K - $86.7K
0% of jobs
$86.7K - $95.1K
1% of jobs
$96.9K is the 75th percentile. Wages above this are outliers.
$95.1K - $103.5K
32% of jobs
$11K
$80.7K
$103.5K
How much do from home molecular simulation jobs pay per year?
As of Jun 13, 2026, the average yearly pay for from home molecular simulation in the United States is $80,687.00, according to ZipRecruiter salary data. Most workers in this role earn between $69,000.00 and $98,500.00 per year, depending on experience, location, and employer.
What are the most commonly searched types of Molecular Simulation jobs? The most popular types of Molecular Simulation jobs are:
Full-time
Posted 22 days ago
Job description
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. As an NVIDIAN, you'll be immersed in a diverse, supportive environment where everyone is inspired to do their best work. Come join the team and see how you can make a lasting impact on the world.
NVIDIA BioNeMo is building the computational foundation for the next generation of biological discovery. We are looking for a hands-on technical manager to lead our MD Simulation Engineering team - a focused group whose mission is to enable biological simulation engines at scale.
You will lead a team of engineers building the GPU-native simulation software the scientific community depends on. This role combines player and mentor responsibilities. You will maintain technical credibility throughout the group's efforts and guide architectural decisions. You also be responsible for the roadmap, coordinate dependencies with NVIDIA and external partners, and support team growth.
What You'll Be Doing:
What We Need to See:
Ways to Stand Out from the Crowd:
Widely considered to be one of the technology world's most desirable employers, NVIDIA offers highly competitive salaries and a comprehensive benefits package. As you plan your future, see what we can offer to you and your family www.nvidiabenefits.com/
Your base salary will be determined based on your location, experience, and the pay of employees in similar positions. The base salary range is 224,000 USD - 356,500 USD.
You will also be eligible for equity and benefits.
Applications for this job will be accepted at least until May 26, 2026.
This posting is for an existing vacancy.
NVIDIA uses AI tools in its recruiting processes.
NVIDIA is committed to fostering a diverse work environment and proud to be an equal opportunity employer. As we highly value diversity in our current and future employees, we do not discriminate (including in our hiring and promotion practices) on the basis of race, religion, color, national origin, gender, gender expression, sexual orientation, age, marital status, veteran status, disability status or any other characteristic protected by law.
NVIDIA BioNeMo is building the computational foundation for the next generation of biological discovery. We are looking for a hands-on technical manager to lead our MD Simulation Engineering team - a focused group whose mission is to enable biological simulation engines at scale.
You will lead a team of engineers building the GPU-native simulation software the scientific community depends on. This role combines player and mentor responsibilities. You will maintain technical credibility throughout the group's efforts and guide architectural decisions. You also be responsible for the roadmap, coordinate dependencies with NVIDIA and external partners, and support team growth.
What You'll Be Doing:
- 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.
What We Need to See:
- 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.
Ways to Stand Out from the Crowd:
- 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.
Widely considered to be one of the technology world's most desirable employers, NVIDIA offers highly competitive salaries and a comprehensive benefits package. As you plan your future, see what we can offer to you and your family www.nvidiabenefits.com/
Your base salary will be determined based on your location, experience, and the pay of employees in similar positions. The base salary range is 224,000 USD - 356,500 USD.
You will also be eligible for equity and benefits.
Applications for this job will be accepted at least until May 26, 2026.
This posting is for an existing vacancy.
NVIDIA uses AI tools in its recruiting processes.
NVIDIA is committed to fostering a diverse work environment and proud to be an equal opportunity employer. As we highly value diversity in our current and future employees, we do not discriminate (including in our hiring and promotion practices) on the basis of race, religion, color, national origin, gender, gender expression, sexual orientation, age, marital status, veteran status, disability status or any other characteristic protected by law.
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