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KBR Computational Materials Scientist in Mountain View, California


Computational Materials Scientist

The Intelligent Systems Research and Development Support (ISRDS) contract supports NASA Ames Research Center in researching, developing and infusing advanced technology into NASA missions. Our scientists, engineers and technologists support research and development of critical enabling technologies for all of the NASA Mission Directorates.

The Computational Materials Group of the Intelligent Systems Division conducts multiscale modeling and simulation of materials and systems to enable the rational design, prediction and certification of materials and systems for NASA applications. NASA’s needs for high performance materials necessitate the development of advanced computational tools to accelerate the design cycle and reduce the cost and inefficiency of traditional, empirically driven approaches. Materials are intrinsically complex, multiscale objects and therefore require a corresponding multiscale modeling framework to enable high fidelity predictions. Such a framework utilizes computational chemistry, ab initio simulations, molecular dynamics simulations as well as Multiphysics modeling capabilities. This approach is general and can be applied to a range of NASA applications.

NASA aeronautics research has interest in shape memory alloys (SMA) to enable high efficiency aircraft with potentially morphing structures to reduce noise and increase fuel efficiency. One path for achieving these goals is to develop a simulation methodology to predict the characteristic SMA parameters that are linked to performance, e.g. martensitic phase transitions, reversibility, etc. The first part of this task will develop and implement novel simulation methods to predict important basic SMA properties. In particular, off-stoichiometric binary and ternary NiTi based alloys will be considered. Martensitic transition temperatures will be computed using first principle methods and classical simulations.

Required Skills and Traits:

  • 6 years of experience

  • Excellent communication and collaboration skills, including demonstrated ability to publish top-tier peer-reviewed articles.

  • Expert knowledge of multiscale modeling and atomistic simulations

  • Expert in molecular dynamics simulation of metals

  • Experience with prediction of the properties of materials

  • Experience modeling defects in metals

Other Desired Skills:

  • Experience with molecular dynamics codes and Monte Carlo techniques

  • Knowledgeable in non-equilibrium processes in solids

  • Experience with quantum mechanical calculations

Scheduled Weekly Hours:


KBR is an equal opportunity employer. All qualified applicants will receive consideration for employment without regard to race, color, religion, disability, sex, sexual orientation, gender identity or expression, age, national origin, veteran status, genetic information, union status and/or beliefs, or any other characteristic protected by federal, state, or local law.

KBR is a global provider of differentiated professional services and technologies across the asset and program lifecycle within the Government Solutions and Energy sectors. KBR employs approximately 38,000 people worldwide (including our joint ventures), with customers in more than 80 countries, and operations in 40 countries, across three synergistic global businesses:

Government Solutions , serving government customers globally, including capabilities that cover the full lifecycle of defense, space, aviation and other government programs and missions from research and development, through systems engineering, test and evaluation, program management, to operations, maintenance, and field logistics

Technology Solutions , featuring proprietary technology, equipment, catalysts, digital solutions and related technical services for the monetization of hydrocarbons, including refining, petrochemicals, ammonia and specialty chemicals, as well as inorganics

Energy Solutions , including onshore oil and gas; LNG (liquefaction and regasification)/GTL; oil refining; petrochemicals; chemicals; fertilizers; differentiated EPC; maintenance services (Brown & Root Industrial Services); offshore oil and gas (shallow-water, deep-water, subsea); floating solutions (FPU, FPSO, FLNG & FSRU); program management and consulting services

KBR is proud to work with its customers across the globe to provide technology, value-added services, integrated EPC delivery and long term operations and maintenance services to ensure consistent delivery with predictable results. At KBR, We Deliver .