Senior Director, Computational Sciences & Digital Engineering

The Role 

In this role, you will lead the enterprise Digital Design & Material Innovation Center, shaping a global capability that accelerates innovation, strengthens technology differentiation, and improves speed and confidence in R&D and product decisions. You will define the vision, operating model, governance, and roadmap for physics-based, data-driven, molecular and hybrid AI/physics modeling approaches, including multi-scale and multi-physics simulation, computational chemistry, digital twins, and simulation data management. You will translate business and technology priorities into actionable modeling strategies, build and develop high-performing technical leaders and teams, and partner across R&D, product development, engineering, operations, and commercial teams to embed modeling insights into critical decisions. 

You will operate in close partnership with the CIDO organization, ensuring the ML and core modeling tech stacks, computing infrastructure, and deployment frameworks are enterprise-ready, secure, and scalable. 

What You’ll Do 

• Define and execute the enterprise Digital Design & Material Innovation Center strategy, roadmap, and operating model aligned with Entegris technology priorities, product roadmaps, and business outcomes. 

• Build, develop, and lead a high-performing multidisciplinary team of component modeling engineers (FEM/CFD), atomistic/molecular modeling engineers, AI/ML engineers, and digital scientists across globally distributed sites primarily located in Taiwan and Singapore, with growing capability in India and anchor teams in the U.S. and Korea. 

• Standardize enterprise modeling, simulation, and validation practices globally across Entegris, including reference architectures, validation frameworks, and reusable model libraries. 

• Create portfolio governance for modeling work by prioritizing initiatives based on business value, technical risk reduction, resource capacity, and impact on innovation cycle time, product performance, manufacturability, quality, and customer outcomes. 

• Partner with the CIDO organization to ensure digital modeling and infrastructure are compute-ready and able to scale across the enterprise, with standardized SOPs for derivative-model deployment that meet cybersecurity requirements. 

• Drive executive decisions on investments in compute infrastructure, data platforms, model validation practices, documentation controls, IP protection, and knowledge reuse. 

• Establish external technology engagements with universities, research consortia, and industry partners to advance Entegris' digital and AI capabilities. Promote a values-driven culture centered on People, Accountability, Creativity, and Excellence, with a strong commitment to compliance, collaboration, scientific rigor, and continuous improvement. 

What We Seek 

• Advanced degree (Ph.D. preferred) in computational science, materials science, mechanical or chemical engineering, physics, applied mathematics, or a related technical field. 

• 15+ years of progressive experience in modeling and simulation, computational engineering, or digital transformation in R&D-intensive industries, with at least 5 years in a senior leadership role managing multidisciplinary technical teams. 

• Semiconductor process and materials experience is strongly preferred. 

• Demonstrated track record of scaling simulation, AI, or digital tools from a single team to an enterprise level of approximately 500–1,000+ engineers and scientists, including structured change management, adoption programs, and cultural transformation in R&D-heavy organizations. 

• Practical understanding of digital twins, HPC/cloud computing, and virtual prototyping with proven ability to establish enterprise-wide modeling standards, reference architectures, and validation frameworks. 

• Deep technical expertise spanning at least two of the following: multiphysics simulation (CFD, FEM), molecular/atomistic modeling (DFT, MD), computational chemistry, and AI/ML, with hands-on familiarity with industry-standard tools such as ANSYS, COMSOL, GeoDict, LAMMPS, and modern AI/ML frameworks for materials and process simulation and design. 

• Strong understanding of model verification, validation, uncertainty quantification, documentation, simulation data management, model reuse, and lifecycle governance. 

• Proven partnership and stakeholder-management skills, with demonstrated ability to work shoulder-to-shoulder with senior AI/Digital and CIO/CIDO leadership on shared technology stack, cybersecurity, and deployment governance. 

• Strong executive communication skills, with the ability to present complex technical strategies to C-suite, ELT, and board-level audiences with clarity, credibility, and a focus on business outcomes. 

Why Work at Entegris  

Lead. Inspire. Innovate. Define Your Future. Not everyone who works for a global company shares the same background, experiences, and perspectives. We leverage the differences of our employees to bring new ideas to the table. Every employee throughout the company is encouraged to share input on projects and initiatives. Our decision-making process is truly a collaborative effort, as we realize there are leaders at every level of the organization. We put our values at the core of how we operate as an organization—not just when it’s convenient, but in a lasting and meaningful way. We want the time and energy you spend here to have a positive impact on your life inside and outside of the office. 

What We Offer  

Our total rewards package goes above and beyond a paycheck. Whether you’re looking to build your career, improve your health, or protect your wealth, we offer generous benefits to help you achieve your goals. 

• Generous 401(k) plan with an impressive employer match. 

• Excellent health, dental, and vision insurance packages to fit your needs. 

• Flexible work schedule and 11 paid holidays a year. 

• Paid time off (PTO) policy that empowers you to take the time you need to recharge. 

• Education assistance to support your learning journey. 

• Values-driven culture with colleagues who rally around People, Accountability, Creativity, and Excellence. 

Entegris does not provide immigration-related sponsorship for this role. Do not apply for this role if you will need Entegris immigration sponsorship (e.g., H-1B, TN, STEM OPT, etc.) now or in the future. 

At Entegris, we are committed to providing equal opportunity to all employees and applicants. Our policy is to recruit, hire, train, and reward employees for their individual abilities, achievements, and experience, without regard to race, color, religion, sexual orientation, age, national origin, disability, marital status, or military status.