Enable scalable adoption of AI/ML, modeling & simulation, and generative design within scientists ... Molecular modeling platforms * AI/ML-driven drug design capabilities * Integrated scientific data ...
Enable scalable adoption of AI/ML, modeling & simulation, and generative design within scientists ... Molecular modeling platforms * AI/ML-driven drug design capabilities * Integrated scientific data ...
Enable scalable adoption of AI/ML, modeling & simulation, and generative design within scientists ... Molecular modeling platforms * AI/ML-driven drug design capabilities * Integrated scientific data ...
Enable scalable adoption of AI/ML, modeling & simulation, and generative design within scientists ... Molecular modeling platforms * AI/ML-driven drug design capabilities * Integrated scientific data ...
... simulation-based methods. Previous Experience in Specialized Computational Methods Experience in the development and application of molecular dynamics, Monte Carlo methods, and first-principles ...
... simulation-based methods. Previous Experience in Specialized Computational Methods Experience in the development and application of molecular dynamics, Monte Carlo methods, and first-principles ...
Enable scalable adoption of AI/ML, modeling & simulation, and generative design within scientists ... Molecular modeling platforms * AI/ML-driven drug design capabilities * Integrated scientific data ...
Enable scalable adoption of AI/ML, modeling & simulation, and generative design within scientists ... Molecular modeling platforms * AI/ML-driven drug design capabilities * Integrated scientific data ...
Research Molecular Biologist
Edgewood, MD · On-site
Interactive Training & Simulation; Physical Sciences Research; Platform Lifecycle Support; and ... Precise Systems seeks a Biologist with molecular biology experience with a specific focus on 3rd ...
Research Molecular Biologist
Edgewood, MD · On-site
Interactive Training & Simulation; Physical Sciences Research; Platform Lifecycle Support; and ... Precise Systems seeks a Biologist with molecular biology experience with a specific focus on 3rd ...
Deep expertise in applying AI to protein design, genomics, transcriptomics, structural biology, molecular simulation, drug discovery, biomedical imaging, or biomedical foundation models. * Strong ...
Deep expertise in applying AI to protein design, genomics, transcriptomics, structural biology, molecular simulation, drug discovery, biomedical imaging, or biomedical foundation models. * Strong ...
Postdoctoral Fellow - Atomistic Simulations and AI for Materials Design
Baltimore, MD · On-site
$48K - $66K/yr
The successful candidate will lead the development of a computational platform that unifies first-principles methods, classical molecular simulations, and cutting-edge AI techniques including graph ...
Postdoctoral Fellow - Atomistic Simulations and AI for Materials Design
Baltimore, MD · On-site
$48K - $66K/yr
The successful candidate will lead the development of a computational platform that unifies first-principles methods, classical molecular simulations, and cutting-edge AI techniques including graph ...
Structural biology and molecular simulation outputs. Required Skills, Experience and Education: * PhD in machine learning, computational chemistry, computational biology, computer science, or a ...
Structural biology and molecular simulation outputs. Required Skills, Experience and Education: * PhD in machine learning, computational chemistry, computational biology, computer science, or a ...
... simulation techniques. Your work will have the potential to make a major impact in drug discovery, and will be available to many pharmaceutical and biotech companies. OpenEye, Cadence Molecular ...
... simulation techniques. Your work will have the potential to make a major impact in drug discovery, and will be available to many pharmaceutical and biotech companies. OpenEye, Cadence Molecular ...
Deep expertise in applying AI to protein design, genomics, transcriptomics, structural biology, molecular simulation, drug discovery, biomedical imaging, or biomedical foundation models. * Strong ...
Deep expertise in applying AI to protein design, genomics, transcriptomics, structural biology, molecular simulation, drug discovery, biomedical imaging, or biomedical foundation models. * Strong ...
Research Molecular Biologist
Edgewood, MD · On-site
Interactive Training & Simulation; Physical Sciences Research; Platform Lifecycle Support; and ... Precise Systems seeks a Biologist with molecular biology experience with a specific focus on 3rd ...
Research Molecular Biologist
Edgewood, MD · On-site
Interactive Training & Simulation; Physical Sciences Research; Platform Lifecycle Support; and ... Precise Systems seeks a Biologist with molecular biology experience with a specific focus on 3rd ...
... simulation-based methods. Previous Experience in Specialized Computational Methods Experience in the development and application of molecular dynamics, Monte Carlo methods, and first-principles ...
... simulation-based methods. Previous Experience in Specialized Computational Methods Experience in the development and application of molecular dynamics, Monte Carlo methods, and first-principles ...
Data Associate | Scientific Datasets
Manhattan, NY · On-site
$170K - $210K/yr
The mission is to decouple systemic friction from analytical progress, allowing the firm's leadership to maintain a singular focus on the acceleration of Molecular Simulation and Drug Discovery . You ...
Data Associate | Scientific Datasets
Manhattan, NY · On-site
$170K - $210K/yr
The mission is to decouple systemic friction from analytical progress, allowing the firm's leadership to maintain a singular focus on the acceleration of Molecular Simulation and Drug Discovery . You ...
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 ...
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 ...
Develop and apply plasma simulation models (fluid and hybrid CCP/ICP ... Bridge multiple scales including plasma-surface interactions, molecular/first-principles insights ...
Develop and apply plasma simulation models (fluid and hybrid CCP/ICP ... Bridge multiple scales including plasma-surface interactions, molecular/first-principles insights ...
Senior Software Engineer -- MD Simulation Engineering
Santa Clara, CA · On-site
$143K - $189K/yr
... molecular dynamics simulation concepts • Experience building or supplying to scientific software libraries, simulation engines, or developer-facing GPU APIs. • BS/MS in Computer Science ...
Senior Software Engineer -- MD Simulation Engineering
Santa Clara, CA · On-site
$143K - $189K/yr
... molecular dynamics simulation concepts • Experience building or supplying to scientific software libraries, simulation engines, or developer-facing GPU APIs. • BS/MS in Computer Science ...
A strong understanding of computational biology, cheminformatics, or molecular simulation is highly desirable. * Master's degree in Computer Science, Engineering or a related quantitative field.
A strong understanding of computational biology, cheminformatics, or molecular simulation is highly desirable. * Master's degree in Computer Science, Engineering or a related quantitative field.
A strong understanding of computational biology, cheminformatics, or molecular simulation is highly desirable. * Master's degree in Computer Science, Engineering or a related quantitative field.
A strong understanding of computational biology, cheminformatics, or molecular simulation is highly desirable. * Master's degree in Computer Science, Engineering or a related quantitative field.
Senior Machine Learning Scientist I, Drug Discovery Analytics
Redwood City, CA · On-site
$112K - $153K/yr
Structural biology and molecular simulation outputs. * Collaborate with Research Scientists. * Partner with medicinal chemists to support compound design and lead optimization. * Work with biologists ...
Senior Machine Learning Scientist I, Drug Discovery Analytics
Redwood City, CA · On-site
$112K - $153K/yr
Structural biology and molecular simulation outputs. * Collaborate with Research Scientists. * Partner with medicinal chemists to support compound design and lead optimization. * Work with biologists ...
Molecular Simulation information
See salary details
$11K - $19.4K
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$19.4K - $27.8K
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$27.8K - $36.2K
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$36.2K - $44.6K
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$44.6K - $53K
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$53K - $61.5K
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$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
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$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 molecular simulation jobs pay per year?
What are the key skills and qualifications needed to thrive in the Molecular Simulation position, and why are they important?
To thrive in Molecular Simulation, you need a solid background in chemistry, physics, or computational science, often at the graduate level, with expertise in molecular modeling and statistical mechanics. Familiarity with industry-standard simulation software (such as GROMACS, AMBER, or CHARMM), programming languages (like Python or C++), and high-performance computing platforms is essential. Strong analytical thinking, attention to detail, and effective communication are valuable soft skills in this role. These competencies are crucial for accurately modeling molecular systems, interpreting results, and collaborating with multidisciplinary teams in research or industry settings.
What is a Molecular Simulation job?
A Molecular Simulation job involves using computational techniques to model and analyze molecular systems at the atomic level. Professionals in this field apply physics-based algorithms and software to study material properties, chemical reactions, and biological processes. They work in industries such as pharmaceuticals, materials science, and energy to optimize product development and research. Strong skills in computational chemistry, physics, and programming are essential for this role.
What are some common challenges faced by professionals in molecular simulation roles?
Professionals in molecular simulation often encounter challenges such as optimizing computational workloads, troubleshooting simulation errors, and interpreting complex data outputs. Balancing the accuracy of simulations with computational efficiency can also be demanding, especially when working with large biomolecular systems or advanced algorithms. Additionally, staying abreast of rapidly evolving software tools and scientific methodologies requires ongoing learning and adaptation. Being able to collaborate with experimental scientists and clearly communicate results is important for integrating simulation findings into broader research projects.
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Full-time
Medical, Dental, Vision, Life, Retirement, PTO
Posted 23 days ago
Bristol Myers Squibb rating
8.0
Based on 48 frontline employees who took The Breakroom Quiz
37th of 73 rated pharmaceutical
Job description
Working with Us
Challenging. Meaningful. Life-changing. Those aren't words that are usually associated with a job. But working at Bristol Myers Squibb is anything but usual. Here, uniquely interesting work happens every day, in every department. From optimizing a production line to the latest breakthroughs in cell therapy, this is work that transforms the lives of patients, and the careers of those who do it. You'll get the chance to grow and thrive through opportunities uncommon in scale and scope, alongside high-achieving teams. Take your career farther than you thought possible.
Bristol Myers Squibb recognizes the importance of balance and flexibility in our work environment. We offer a wide variety of competitive benefits, services and programs that provide our employees with the resources to pursue their goals, both at work and in their personal lives. Read more: careers.bms.com/working-with-us.
Role Overview
Bristol Myers Squibb is seeking a leader to serve as Executive Director, Molecular Design Technology-a pivotal role at the intersection of drug discovery science and advanced digital capabilities.
This global leader will define and deliver the technology strategy and capabilities that enable modality-agnostic molecular design and optimization across the R&D pipeline, in deep partnership with Research leadership spanning small molecules, biologics, and emerging modalities. The scope is explicitly focused on modality-agnostic design and optimization and excludes target identification and validation.
Reporting to the Vice President of Research Business Insights & Technology (BI&T), this individual will accelerate the shift from technology layered onto traditional workflows to computationally based, AI-driven ways of working. In partnership with research scientists, Computational Sciences leaders, and BMS's R&D Data organization, the role will advance a multi-year vision for integrated AI, data, and systems-ensuring design data and knowledge flow seamlessly across Research and into Development. As a member of the BI&T leadership team, this leader will serve as a trusted partner to Research leaders to align priorities, roadmaps, and adoption across the organization.
Mission & Impact
Set a cohesive, modality-agnostic technology and AI strategy for molecular design and optimization across Research.
Deliver an integrated design ecosystem that reduces fragmentation and enables interoperable workflows, tools, and data.
Enable scalable adoption of AI/ML, modeling & simulation, and generative design within scientists' day-to-day work.
Establish closed-loop, data-driven design capabilities that improve learning speed and decision quality across the candidate lifecycle.
Translate Research strategy into a prioritized, measurable roadmap-aligning leaders across Chemistry, Biology, and Computational Sciences.
Drive change management and operating-model shifts so new capabilities are used consistently and deliver measurable impact.
Key Responsibilities
Own the end-to-end technology strategy and roadmap for molecular design and optimization across modalities (small molecule, biologics, and emerging).
Align priorities and drive delivery in close partnership with Discovery Biology, Medicinal Chemistry, Computational Sciences, and lab leadership.
Select and scale core platforms and tools for structure-based design, modeling & simulation, AI/generative design, and design-workflow visualization.
Architect and deliver an integrated design ecosystem (interoperable tools, datasets, and workflows) to reduce fragmentation and improve usability.
Deliver measurable outcomes (e.g., DMTA cycle-time reduction; closed-loop optimization) through AI/ML, generative, and agentic capabilities.
Own compound and entity registration systems and workflows, partnering with the R&D Data organization on the registered-entity data product.
Ensure operational excellence (reliability, performance, support, and governance) for design platforms and integrated applications.
Connect upstream Research with downstream Development (e.g., CMC and Manufacturing IT) so Development learnings flow back into design decisions.
Build and lead a high-performing organization (talent, culture, performance) and manage external partnerships (vendors, startups, academic collaborators).
Required Experience & Qualifications
Ph.D. in Chemistry, Computational Chemistry, Structural Biology, Bioinformatics, or related field
15+ years of experience in drug discovery, with:
Deep experience in molecular design (small and/or large molecule)
10+ years operating at the intersection of science and technology/IT
Proven track record of leading technology-enabled transformation in a pharmaceutical or biotech R&D environment
Demonstrated experience implementing or scaling:
Molecular modeling platforms
AI/ML-driven drug design capabilities
Integrated scientific data environments
Strong understanding of end-to-end drug discovery workflows, particularly within design and optimization phases
Experience deploying GenAI and agentic capabilities into scientist workflows, and driving DMTA cycle-time reduction or comparable closed-loop optimization
Experience operating at Director/Senior Director level or above, with readiness for Executive Director scope
Critical Capabilities
Scientific Depth + Digital Fluency:Ability to engage deeply with scientists while architecting modern, scalable technology solutions
Strategic Thinking: Can define a clear future-state vision while navigating current-state constraints and fragmentation
Systems Integration Mindset: Sees across tools, data, and workflows to create cohesive, end-to-end solutions
AI/Innovation Orientation: Strong grasp of emerging technologies (AI/ML, generative models) and their practical application in molecular design
Influence Without Authority: Builds trust and alignment across senior scientific and technology stakeholders
Leadership & Change Attributes
Exceptional communication skills, with the ability to translate complex technical concepts into clear, actionable narratives
Proven ability to lead organizational change within scientific environments, driving adoption and behavioral shifts
High degree of emotional intelligence and credibility with senior scientists
Ability to operate effectively in ambiguous, evolving environments, bringing structure and clarity
Commitment to building an inclusive, high-performing culture grounded in trust and accountability
What Differentiates Top Candidates
Experience driving AI-enabled molecular design transformation at scale
Background bridging bench science, computational methods, and enterprise platforms
Demonstrated success integrating fragmented tool ecosystems into unified platforms
Credibility with both internal R&D leaders and external innovation partners
Why This Role Matters Now
Bristol Myers Squibb is at a pivotal moment in reimagining how technology and AI enable scientific discovery. Molecular design is one of the highest-leverage areas in that transformation, with the potential to materially accelerate the design-make-test-analyze cycle in early R&D. This role matters now because it will turn fragmented tools, data, and emerging AI capabilities into a more integrated design ecosystem that helps scientists make better decisions faster and advances the delivery of transformative medicines.
If you come across a role that intrigues you but doesn't perfectly line up with your resume, we encourage you to apply anyway. You could be one step away from work that will transform your life and career.
Compensation Overview:
The starting compensation range(s) for this role are listed above for a full-time employee (FTE) basis. Additional incentive cash and stock opportunities (based on eligibility) may be available. The starting pay rate takes into account characteristics of the job, such as required skills, where the job is performed, the employee's work schedule, job-related knowledge, and experience. Final, individual compensation will be decided based on demonstrated experience.
Eligibility for specific benefits listed on our careers site may vary based on the job and location. For more on benefits, please visit https://careers.bms.com/life-at-bms/.
Benefit offerings are subject to the terms and conditions of the applicable plans in effect at the time and may require enrollment. Our benefits include:
Health Coverage: Medical, pharmacy, dental, and vision care.
Wellbeing Support: Programs such as BMS Well-Being Account, BMS Living Life Better, and Employee Assistance Programs (EAP).
Financial Well-being and Protection: 401(k) plan, short- and long-term disability, life insurance, accident insurance, supplemental health insurance, business travel protection, personal liability protection, identity theft benefit, legal support, and survivor support.
Work-life benefits include:
Paid Time Off
US Exempt Employees: flexible time off (unlimited, with manager approval, 11 paid national holidays (not applicable to employees in Phoenix, AZ, Puerto Rico or Rayzebio employees)
Phoenix, AZ, Puerto Rico and Rayzebio Exempt, Non-Exempt, Hourly Employees: 160 hours annual paid vacation for new hires with manager approval, 11 national holidays, and 3 optional holidays
Based on eligibility*, additional time off for employees may include unlimited paid sick time, up to 2 paid volunteer days per year, summer hours flexibility, leaves of absence for medical, personal, parental, caregiver, bereavement, and military needs and an annual Global Shutdown between Christmas and New Years Day.
All global employees full and part-time who are actively employed at and paid directly by BMS at the end of the calendar year are eligible to take advantage of the Global Shutdown.
*Eligibility Disclosure: The summer hours program is for United States (U.S.) office-based employees due to the unique nature of their work. Summer hours are generally not available for field sales and manufacturing operations and may also be limited for the capability centers. Employees in remote-by-design or lab-based roles may be eligible for summer hours, depending on the nature of their work, and should discuss eligibility with their manager. Employees covered under a collective bargaining agreement should consult that document to determine if they are eligible. Contractors, leased workers and other service providers are not eligible to participate in the program.
Uniquely Interesting Work, Life-changing Careers
With a single vision as inspiring as "Transforming patients' lives through science ", every BMS employee plays an integral role in work that goes far beyond ordinary. Each of us is empowered to apply our individual talents and unique perspectives in a supportive culture, promoting global participation in clinical trials, while our shared values of passion, innovation, urgency, accountability, inclusion and integrity bring out the highest potential of each of our colleagues.
On-site Protocol
BMS has an occupancy structure that determines where an employee is required to conduct their work. This structure includes site-essential, site-by-design, field-based and remote-by-design jobs. The occupancy type that you are assigned is determined by the nature and responsibilities of your role:
Site-essential roles require 100% of shifts onsite at your assigned facility. Site-by-design roles may be eligible for a hybrid work model with at least 50% onsite at your assigned facility. For these roles, onsite presence is considered an essential job function and is critical to collaboration, innovation, productivity, and a positive Company culture. For field-based and remote-by-design roles the ability to physically travel to visit customers, patients or business partners and to attend meetings on behalf of BMS as directed is an essential job function.
Supporting People with Disabilities
BMS is dedicated to ensuring that people with disabilities can excel through a transparent recruitment process, reasonable workplace accommodations/adjustments and ongoing support in their roles. Applicants can request a reasonable workplace accommodation/adjustment prior to accepting a job offer. If you require reasonable accommodations/adjustments in completing this application, or in any part of the recruitment process, direct your inquiries to adastaffingsupport@bms.com. Visit careers.bms.com/eeo-accessibility to access our complete Equal Employment Opportunity statement.
Candidate Rights
BMS will consider for employment qualified applicants with arrest and conviction records, pursuant to applicable laws in your area.
If you live in or expect to work from Los Angeles County if hired for this position, please visit this page for important additional information:https://careers.bms.com/california-residents/
Data Protection
We will never request payments, financial information, or social security numbers during our application or recruitment process. Learn more about protecting yourself at https://careers.bms.com/fraud-protection.
Any data processed in connection with role applications will be treated in accordance with applicable data privacy policies and regulations.
If you believe that the job posting is missing information required by local law or incorrect in any way, please contact BMS at TAEnablement@bms.com. Please provide the Job Title and Requisition number so we can review. Communications related to your application should not be sent to this email and you...
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About Bristol-Myers Squibb
Sourced by ZipRecruiter
Bristol-Myers Squibb is a world-renowned global Biopharmaceutical company headquartered in New York, NY, US. Established in 1887, the company has more than 130 years’ worth of history dedicated to discovering, developing, and delivering innovative medicines that help patients prevail over serious diseases. The company operates in the healthcare industry and thrives on providing a range of pharmaceutical products and services for various medical fields, like oncology, cardiovascular diseases, and immunoscience. Notably, Bristol-Myers Squibb is known for its commitment to relentless research and innovative drug development, which has led to breakthroughs like Opdivo, one of the first immunotherapies.
Industry
Scientific research and development services and pharmaceutical and medicine manufacturing
Company size
10,000+ Employees
Headquarters location
New York, NY, US