Computational Materials Scientist

About us

At ExxonMobil, our vision is to lead in energy innovations that advance modern living and a net-zero future. As one of the world’s largest publicly traded energy and chemical companies, we are powered by a unique and diverse workforce fueled by the pride in what we do and what we stand for.

The success of our Upstream, Product Solutions and Low Carbon Solutions businesses is the result of the talent, curiosity and drive of our people. They bring solutions every day to optimize our strategy in energy, chemicals, lubricants and lower-emissions technologies.

We invite you to bring your ideas to ExxonMobil to help create sustainable solutions that improve quality of life and meet society’s evolving needs. Learn more about our What and our Why and how we canwork together.

About Houston

ExxonMobil's state-of-the-art campus north of Houston serves as home to its Upstream, Product Solutions and Low Carbon Solutions businesses and their associated service groups. The facility opened in 2014 and accommodates more than 10,000 employees and visitors.

By bringing many global functional groups together, the campus provides employees with the tools and capabilities needed today, and in the future, to achieve business objectives and accelerate the discovery of new resources, technologies and products. It was designed to foster improved collaboration, creativity and innovation and enhance the company’s ability to attract, develop and retain the top talent in the industry.

The campus is located in Spring, Texas, on 385 wooded acres immediately to the west of Interstate Highway 45 (I-45), at the intersection of I-45 and the Hardy Toll Road, approximately 25 miles from the cultural vibrancy of downtown Houston.

The campus was constructed to the highest standards of energy efficiency and environmental stewardship. Its design incorporates extensive research into best practices in building and workplace design through extensive benchmarking of the world’s top academic, research, and corporate facilities.

Learn more about what we do in Houston here.

What role you will play in our team

We are seeking candidates with a strong research record and expertise in Computational Materials Science and Engineering or related fields. The role focuses on designing material structures, predicting properties and behaviors, and applying advanced modeling techniques to accelerate materials discovery and development, particularly in polymers, complex fluids, structural and functional materials.

You will work across a wide range of applications where key material properties, such as mechanical performance, rheology, thermodynamics, and stability, are critical to success. This position requires strong expertise in a variety of computational techniques and broad experience in modeling and simulating complex materials (e.g., polymers) under real-world conditions and uncovering structure–process–property–performance relationships.

What you will do

- Apply advanced modeling to accelerate materials discovery and development and enable in-silico materials design

- Investigate physical processes and mechanisms across multiple length and time scales.

- Collaborate closely with experimentalists and other modeling experts to validate and improve models.

- Develop and deploy computational models that address business needs and enhance research workflows.

About you

Skills and Qualifications

- Ph.D. in Materials Science and Engineering, Chemical Engineering, Chemistry, Physics, Computational Science, or related fields.

- Minimum 3 years of research experience in materials modeling (including Ph.D. research).

- Proven experience in modeling and simulating behavior of complex materials such as semicrystalline polymers, hydrocarbons, soft matter, complex fluids, and composites.

- Proficiency in atomistic simulations, Density Functional Theory, molecular dynamics, Monte Carlo, coarse-grained methods, and/or finite element analysis.

- Expertise in multiscale and multi-physics modeling, including techniques from ab-initio to continuum methods across a broad range of time and length scales.

- Experience with hybrid modeling and integrating physics-based and data-driven methods (e.g., machine learning)

- Experience with forcefield development and MLIPs (Machine Learning Interatomic Potentials).

- Experience with both CPU and GPU high-performance computing.

- Strong programming skills (Python, C++, scripting for automation).

- Excellent communication and collaboration skills across multidisciplinary teams.

Preferred Qualifications/ Experience

- Polymer physics, soft matter physics, fluid mechanics

- Thermodynamics, statistical mechanics, interface science, and kinetic modeling

- Machine learning, statistical modeling, materials informatics

- Experience in energy and sustainability-related materials

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Req ID: 83024