Staff Engineer – Modeling and Simulations

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Objective

Job Description

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.

LocationsBoston, MA

Worker TypeEmployee

Worker Sub-TypeRegular

Time TypeFull 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.