Job Posting

Staff Engineer – Modeling and Simulations

Boston, Massachusetts

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Job Level: Senior
Travel: 5-10%

The Pharmaceutical Sciences (Pharm Sci) organization is an integral part of global R&D at Takeda, translating science into therapeutic products for patients. When you join Pharm Sci, you become part of a team dedicated to bringing our products to life for our patients through innovation, dedication and talent while minimizing environmental impact.

We work as a member of Takeda’s Global Program Team (GPT) and take full ownership of Chemistry, Manufacturing & Control (CMC) activities — driving product development from bench to bedside.

The Pharm Sci team focuses on executing and enhancing business processes and partnering with key stakeholders and industry leaders to boldly deliver an increasingly complex portfolio. Always looking through a sustainability lens to protect our planet, we are embracing new ways of working, excelling in our data and digital transformation, building differentiated capabilities (CMC Acceleration), delivering innovative medical devices, and advancing an inclusive, innovative culture.

It is an exciting time to be in Pharm Sci. Join our journey and change the lives of patients!

Job ID R0148129 Date posted 03/27/2025 Location Boston, Massachusetts

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Job Description

OBJECTIVE:

Synthetic Molecule Process Development (SMPD) is responsible for the development of robust and cost-effective processes for the manufacture of new small molecule pharmaceuticals, along with methods for achieving and controlling high standards of purity and quality.

The Staff Engineer – Modeling & Simulation will play a key role in bridging process chemistry and process engineering modeling efforts, to design and optimize efficient, scalable, and sustainable reaction processes. This role will focus on kinetic modeling, mechanistic understanding, and use computational tools to guide route selection, optimize reaction conditions, and mitigate impurity formation. The candidate will work in a highly cross-functional environment, supporting both early and late-stage pharmaceutical process development.

ACCOUNTABILITIES:

Kinetics & Mechanistic Studies: Design and execute data-rich experiments using in situ tools (e.g. NMR, mid-FTIR, calorimetry) and offline analytical techniques to track reaction progress and formation of intermediates.
Reaction Kinetics & Modeling: Extract kinetic parameters e.g., Reaction Progress Kinetic Analysis (RPKA) and Variable Time Normalization Analysis (VTNA), and develop mechanistic kinetic models to quantify reaction kinetics, catalyst behavior, and impurity formation pathways.
Computational Chemistry & Simulation: Utilize DFT, Molecular Dynamics (MD), and kinetic modeling to rationalize mechanistic hypotheses, predict reaction pathways, and accelerate process development.
Process Optimization & Scale-up: Apply first-principles kinetic models to guide process optimization, ensuring robust and scalable reaction conditions.
Model-Based Experimentation: Design targeted experiments to validate kinetic models and refine reaction mechanisms, reducing empirical trial-and-error.
Modeling for Route Scouting: Use kinetic and computational insights to assess new synthetic routes, ensuring efficiency, safety, and sustainability.
Digital & Data Science Integration: Work with process modelers, data scientists, chemists and engineers to integrate kinetic models into digital workflows (e.g., reaction databases, AI-assisted process design tools).
Cross-functional Collaboration: Act as a technical liaison between process chemistry, engineering, and modeling teams, ensuring effective translation of mechanistic insights into process decisions.
Responsible for authoring relevant sections of regulatory documents, reports and peer reviewed manuscripts.

EDUCATION, EXPERIENCE AND SKILLS:

Education and Experience:

Required:

A Ph.D. in Chemical Engineering, Chemistry, or a related field with 0+ years of academic, post-doctoral or pharmaceutical industry experience; an M.Sc. degree in Chemical Engineering, Process Engineering, or a related field with 6+ years of pharmaceutical industry experience.
Expertise in reaction kinetics, mechanistic modeling, computational chemistry, DFT and kinetic/microkinetic simulations.
Strong background in experimental kinetics, including in situ reaction monitoring (NMR, mid-FTIR, calorimetry), kinetic parameter extraction (RPKA, VTNA), and mechanistic analysis.
Experience building kinetic models using tools such as gPROMS, Aspen, ReactionLab, Dynochem, MATLAB, Python, or similar platforms.
Ability to work in the lab to generate high-quality kinetic data for model development and verification.
Understanding of process scale-up and application of reaction engineering principles to ensure robust, efficient, and scalable manufacturing processes.

Preferred:

Experience with data-driven modeling, multivariate analysis, and AI/ML applications in reaction engineering.
Strong technical communication skills, with experience in cross-functional collaboration and presenting at scientific conferences.

Knowledge and Skills:

Analytical and Problem-Solving Skills - Able to troubleshoot critical issues or problems, and determine causes and possible solutions
Teamwork -- Ability to work well in highly cross functional team environment and across global line functions
Communication Skills -Able to expresses oneself clearly and concisely within team; documents issues and/or concerns concisely with colleagues; adjusts communication style as appropriate for the audience; timely and effectively communicates issues to supervisor; technical writing skills to support authorship of internal technical documents
Organization – Exercises good time management and prioritization skills and can successfully manage multiple tasks simultaneously
Knowledge Sharing - Ability to capture organizational knowledge; improve solutions, processes, and deliverables through use of information; improve information capital by contributing experience, theories, deliverables, and models for others to use
Resource Management -Ability to manage one’s time within individual, departmental, and corporate goals and timelines; management of internal and external resources (vendors)
External Involvement – Demonstrated involvement in professional community evidenced by presentation of scientific posters or lectures at professional conferences or events
Technical-Subject matter expertise and knowledge of applicable lab equipment and operations
Leadership Skills – Develops and uses knowledge and interpersonal skills to appropriately influence and guide others towards the accomplishment of department/function goals and objectives.

TRAVEL REQUIREMENTS:

May require approximately 5-10% travel.

Takeda Compensation and Benefits Summary

We understand compensation is an important factor as you consider the next step in your career. We are committed to equitable pay for all employees, and we strive to be more transparent with our pay practices.

For Location:

Boston, MA

U.S. Base Salary Range:

$108,500.00 - $170,500.00

The estimated salary range reflects an anticipated range for this position. The actual base salary offered may depend on a variety of factors, including the qualifications of the individual applicant for the position, years of relevant experience, specific and unique skills, level of education attained, certifications or other professional licenses held, and the location in which the applicant lives and/or from which they will be performing the job.The actual base salary offered will be in accordance with state or local minimum wage requirements for the job location.

U.S. based employees may be eligible for short-term and/or long-termincentives. U.S.based employees may be eligible to participate in medical, dental, vision insurance, a 401(k) plan and company match, short-term and long-term disability coverage, basic life insurance, a tuition reimbursement program, paid volunteer time off, company holidays, and well-being benefits, among others. U.S.based employees are also eligible to receive, per calendar year, up to 80 hours of sick time, and new hires are eligible to accrue up to 120 hours of paid vacation.

EEO Statement

Takeda is proud in its commitment to creating a diverse workforce and providing equal employment opportunities to all employees and applicants for employment without regard to race, color, religion, sex, sexual orientation, gender identity, gender expression, parental status, national origin, age, disability, citizenship status, genetic information or characteristics, marital status, status as a Vietnam era veteran, special disabled veteran, or other protected veteran in accordance with applicable federal, state and local laws, and any other characteristic protected by law.

Locations

Boston, MA

Worker Type

Employee

Worker Sub-Type

Regular

Time Type

Full time

Job Exempt

Yes

It is unlawful in Massachusetts to require or administer a lie detector test as a condition of employment or continued employment. An employer who violates this law shall be subject to criminal penalties and civil liability.

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Where you fit in

Our teams are experienced in medicinal chemistry, multi-step synthesis, multimodal genetics, genomics datasets, pharmacokinetics and more. So wherever your expertise and passion lie, your work will have tangible outcomes, advancing an innovative pipeline that serves unmet needs.

We're delving deeper than ever inside the human body and its microbiome, implementing innovative approaches to deliver high-quality products that treat a range of illnesses, including IBD and cancer.

In our diverse, forward-thinking culture, we're constantly embracing new ways of working:

Partnering with research teams, GPTs, business development and our commercial partners in GMS/GQ
Supporting all stages of pre-clinical and clinical development
Providing enabling technologies, including formulation and delivery strategies, analytical expertise and IP
Developing processes to manufacture high-quality Clinical Trial Material and other
Focusing on broad therapeutic areas on multiple device platforms: Advanced Delivery Devices, Home & Point-Of-Care Diagnostics, Software & Connectivity for eHealth devices and state-of-the-art Medical Devices & Combination Products

On our team in Pharmaceutical Sciences, you’ll notice a big difference in your own life, too. You’ll be supported to develop your career. You'll connect with brilliant minds and be recognized for your accomplishments. Your curiosity, skills and dedication will have a place and a purpose. So even when you’re exploring the smallest of details, your world will be bigger than ever.

Perform cell processing operations
Support clean room activities
Ensure equipment maintenance
Support investigations in deviations

Along with incredibly passionate colleagues, there’s a clear commitment to invest in the best facilities and the right equipment needed to successfully perform world-class science.

Christina Alves - Head of Biotherapeutics Process Development

Within Takeda, there’s a lot of room for disruption and challenging how things have been done before.

Briana Rawson - Lead, Human Factors Engineer

I love that I get to connect smaller, newer ventures with Takeda’s reputation and resources so that we can develop innovative ways of diagnosing and managing the conditions of patients with unmet needs.

Rachel Whitaker - Principal Engineer, Diagnostic Devices

The heart of our work

Leading with innovation

Our pipeline

Our internal research capabilities and external partnerships contribute to an R&D engine that has produced exciting new molecular entities (NMEs) across our core Therapeutic Areas. Check out our pipeline and see how we’ll continue delivering a steady stream of next-generation therapies.

Learn more

What we believe in

Our values of Takeda-ism are Integrity, Fairness, Honesty and Perseverance, with Integrity as the core. These are brought to life through actions based on Patient, Trust, Reputation and Business, in that order.

Our belief in putting people first extends beyond our patients — it includes their families and communities, as well as our Takeda colleagues and their families.

We are committed to embracing our differences, valuing different perspectives, and fostering a culture of respect, inclusiveness and empowerment.

Our embedded Diversity, Equity & Inclusion (DE&I) strategy enables us to attract and retain exceptional talent, drives innovation, and helps address systemic inequalities in our communities.

Integrity
Fairness
Honesty
Perseverance

Working at Takeda

Inclusion
Here, you will feel welcomed, respected, and valued as a vital contributor to our global team.
Collaboration
A strong, borderless team, we strive together towards our priorities and inspiring mission.
Innovation
Bold initiatives, continuous improvement, and creativity are at the heart of how we bring scientific breakthroughs from the lab to patients.
Top Workplace
Recognized for our culture and way of working, we’re one of only 17 companies to receive Top Global Employer® status for 2024.
Work-Life
Our people-first mission extends beyond patients to include their families, communities, and our own Takeda family.
Empowerment
Through trust and respect, you will have genuine support from leaders, managers, and colleagues to do your best work.