They are seeking a hands-on technical manager to lead the Molecular Simulation Engineering team, responsible for developing GPU-native simulation software for the scientific community.
They are seeking a hands-on technical manager to lead the Molecular Simulation Engineering team, responsible for developing GPU-native simulation software for the scientific community.
... manager for their MD Simulation Engineering team. The role involves leading engineers to develop ... to molecular dynamics' modeling to ensure the team is delivering what the community needs. • ...
... manager for their MD Simulation Engineering team. The role involves leading engineers to develop ... to molecular dynamics' modeling to ensure the team is delivering what the community needs. • ...
We are looking for a hands-on technical manager to lead our MD Simulation Engineering team - a ... Build and maintain relationships with the community dedicated to molecular dynamics' modeling to ...
We are looking for a hands-on technical manager to lead our MD Simulation Engineering team - a ... Build and maintain relationships with the community dedicated to molecular dynamics' modeling to ...
We are looking for a hands-on technical manager to lead our MD Simulation Engineering team - a ... Build and maintain relationships with the community dedicated to molecular dynamics' modeling to ...
We are looking for a hands-on technical manager to lead our MD Simulation Engineering team - a ... Build and maintain relationships with the community dedicated to molecular dynamics' modeling to ...
Post-Doctoral Associate - Aerospace - OpenKIM/CollabFit
Minneapolis, MN · On-site
$56.48K - $67.11K/yr
OpenKIM aims to make molecular simulations in materials science, nanoscience, and chemistry ... Ability to manage multiple projects and effectively work with other researchers. * Excellent ...
Post-Doctoral Associate - Aerospace - OpenKIM/CollabFit
Minneapolis, MN · On-site
$56.48K - $67.11K/yr
OpenKIM aims to make molecular simulations in materials science, nanoscience, and chemistry ... Ability to manage multiple projects and effectively work with other researchers. * Excellent ...
ML Research Scientist - Atomistic Simulation Models
New York, NY · On-site
$164.64K - $259K/yr
Build conditional small-molecule generators (e.g., pocket/scaffold/pharmacophore- and property ... Use generative coding and experiment-management tools to accelerate iteration and close active ...
ML Research Scientist - Atomistic Simulation Models
New York, NY · On-site
$164.64K - $259K/yr
Build conditional small-molecule generators (e.g., pocket/scaffold/pharmacophore- and property ... Use generative coding and experiment-management tools to accelerate iteration and close active ...
Postdoctoral researcher in AI-driven Molecular Design
Los Alamos, NM · On-site +1
$44.50K - $60.40K/yr
Implement high-throughput workflows for molecular property prediction and simulation * Publish ... All work locations are at the discretion of management. Note to Applicants: Due to federal ...
Postdoctoral researcher in AI-driven Molecular Design
Los Alamos, NM · On-site +1
$44.50K - $60.40K/yr
Implement high-throughput workflows for molecular property prediction and simulation * Publish ... All work locations are at the discretion of management. Note to Applicants: Due to federal ...
Postdoctoral researcher in AI-driven Molecular Design
Los Alamos, NM · On-site
$44.50K - $60.40K/yr
Implement high-throughput workflows for molecular property prediction and simulation * Publish ... All work locations are at the discretion of management. Note to Applicants: Due to federal ...
Postdoctoral researcher in AI-driven Molecular Design
Los Alamos, NM · On-site
$44.50K - $60.40K/yr
Implement high-throughput workflows for molecular property prediction and simulation * Publish ... All work locations are at the discretion of management. Note to Applicants: Due to federal ...
Research/Sr. Research Investigator, Computational Chemistry
Wilmington, DE · On-site +1
$95.60K - $121.80K/yr
Deep expertise in molecular dynamics (MD) simulations, including system setup, execution, enhanced ... Ability to manage multiple priorities in a fast-paced, matrixed environment * High level of ...
Research/Sr. Research Investigator, Computational Chemistry
Wilmington, DE · On-site +1
$95.60K - $121.80K/yr
Deep expertise in molecular dynamics (MD) simulations, including system setup, execution, enhanced ... Ability to manage multiple priorities in a fast-paced, matrixed environment * High level of ...
Research/Sr. Research Investigator, Computational Chemistry
Wilmington, DE · On-site
$95.60K - $121.80K/yr
... molecular simulation, CADD, or drug discovery applications • Demonstrated experience applying ... Management reserves the right to change or modify such duties as required. Incyte Corporation is ...
Research/Sr. Research Investigator, Computational Chemistry
Wilmington, DE · On-site
$95.60K - $121.80K/yr
... molecular simulation, CADD, or drug discovery applications • Demonstrated experience applying ... Management reserves the right to change or modify such duties as required. Incyte Corporation is ...
NVIDIA is seeking a dynamic, mission-driven Developer Relations Manager to engage leading research ... molecular simulation, drug discovery, biomedical imaging, or biomedical foundation models. • ...
NVIDIA is seeking a dynamic, mission-driven Developer Relations Manager to engage leading research ... molecular simulation, drug discovery, biomedical imaging, or biomedical foundation models. • ...
Data Associate - Drug Discovery
$65K - $65.60K/yr
... molecular simulation and pharmaceutical innovation. You will be tasked with the systematic ... Prior exposure to scientific computing or laboratory data management is highly advantageous ...
Data Associate - Drug Discovery
$65K - $65.60K/yr
... molecular simulation and pharmaceutical innovation. You will be tasked with the systematic ... Prior exposure to scientific computing or laboratory data management is highly advantageous ...
We are seeking a dynamic, mission-driven Developer Relations Manager to engage leading research ... structural biology, molecular simulation, drug discovery, biomedical imaging, or biomedical ...
We are seeking a dynamic, mission-driven Developer Relations Manager to engage leading research ... structural biology, molecular simulation, drug discovery, biomedical imaging, or biomedical ...
We are seeking a dynamic, mission-driven Developer Relations Manager to engage leading research ... structural biology, molecular simulation, drug discovery, biomedical imaging, or biomedical ...
We are seeking a dynamic, mission-driven Developer Relations Manager to engage leading research ... structural biology, molecular simulation, drug discovery, biomedical imaging, or biomedical ...
OR · On-site
We are seeking a dynamic, mission-driven Developer Relations Manager to engage leading research ... structural biology, molecular simulation, drug discovery, biomedical imaging, or biomedical ...
... Molecular Simulation and Drug Discovery . You will be tasked with the sophisticated management of ... ML Project Execution and Data Acquisition , transforming abstract organizational needs into ...
... Molecular Simulation and Drug Discovery . You will be tasked with the sophisticated management of ... ML Project Execution and Data Acquisition , transforming abstract organizational needs into ...
Fullstack Software Engineer (Senior / Staff)
San Mateo, CA · On-site
$139.50K - $183.90K/yr
... simulation, and computational chemistry. We are looking for engineers excited to help develop new ... Build and expand tools for visualizing molecules and proteins, analyzing ML models, and managing ...
Fullstack Software Engineer (Senior / Staff)
San Mateo, CA · On-site
$139.50K - $183.90K/yr
... simulation, and computational chemistry. We are looking for engineers excited to help develop new ... Build and expand tools for visualizing molecules and proteins, analyzing ML models, and managing ...
Computational Materials Scientist, Modeling Services
Portland, NY · On-site
$120K - $145K/yr
Perform molecular simulations-focused projects using Schrodinger tools and meet project deadlines ... Our Office Management team also plans a myriad of fun company-wide events. Schrodinger is honored ...
Computational Materials Scientist, Modeling Services
Portland, NY · On-site
$120K - $145K/yr
Perform molecular simulations-focused projects using Schrodinger tools and meet project deadlines ... Our Office Management team also plans a myriad of fun company-wide events. Schrodinger is honored ...
Software Engineer - Core Infrastructure
San Mateo, CA · On-site
$197K - $233.50K/yr
... simulation, and computational chemistry. We are looking for an Infrastructure Engineer that is ... Nice to have: hands-on experience with physical hardware + datacenter management What We Offer
Software Engineer - Core Infrastructure
San Mateo, CA · On-site
$197K - $233.50K/yr
... simulation, and computational chemistry. We are looking for an Infrastructure Engineer that is ... Nice to have: hands-on experience with physical hardware + datacenter management What We Offer
... quantum molecular simulations. Computing Experience Experience with scientific computing and ... It is desired that the candidate is skilled in either analytical or simulation-based methods.
... quantum molecular simulations. Computing Experience Experience with scientific computing and ... It is desired that the candidate is skilled in either analytical or simulation-based methods.
Manager Molecular Simulation information
See salary details
$13.46 - $17.20
10% of jobs
$19.28 is the 25th percentile. Wages below this are outliers.
$17.20 - $20.94
28% of jobs
$20.94 - $24.67
4% of jobs
The median wage is $27.16 / hr.
$24.67 - $28.41
13% of jobs
$28.41 - $32.15
6% of jobs
$32.15 - $35.88
9% of jobs
$38.82 is the 75th percentile. Wages above this are outliers.
$35.88 - $39.62
7% of jobs
$39.62 - $43.36
10% of jobs
$43.36 - $47.09
1% of jobs
$47.09 - $50.83
7% of jobs
$50.83 - $54.57
5% of jobs
$13
$31
$54
How much do manager molecular simulation jobs pay per hour?
As of May 31, 2026, the average hourly pay for manager molecular simulation in the United States is $31.57, according to ZipRecruiter salary data. Most workers in this role earn between $19.23 and $40.38 per hour, 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
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Job description
Job Summary:
NVIDIA AI is a leader in computer graphics and accelerated computing, now focusing on AI to shape the future of computing. They are seeking a hands-on technical manager to lead the Molecular Simulation Engineering team, responsible for developing GPU-native simulation software for the scientific community.
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:
Explore the latest breakthroughs made possible with AI. Founded in , the company is headquartered in Santa Clara, CA, US, , with a team of 10001+ employees. The company is currently Late Stage.
NVIDIA AI is a leader in computer graphics and accelerated computing, now focusing on AI to shape the future of computing. They are seeking a hands-on technical manager to lead the Molecular Simulation Engineering team, responsible for developing GPU-native simulation software for the scientific community.
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:
Explore the latest breakthroughs made possible with AI. Founded in , the company is headquartered in Santa Clara, CA, US, , with a team of 10001+ employees. The company is currently Late Stage.