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PhD position: Atomistic simulation and Machine L ... (No replies)
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The Lam Research Group at the University of Massachusetts Lowell is seeking applicants for a funded PhD student position at the University of Massachusetts Lowell. The research will focus on atomistic simulation and machine learning of multicomponent molten salts in advanced energy applications. The position starts September 1, 2021 or earlier. The research position will work on project that combines electronic structure calculation, molecular dynamics, and machine learning to predict thermo-physical and chemical properties of molten salts for energy applications.
Project Description
Molten salts are important high-temperature liquids for many industrial applications such as waste oxidation, catalytic coal gasification, concentrated solar power, and advanced nuclear reactors. Generally, the modeling of ionic liquids poses interesting challenges considering the complexities in modeling various atomic structures, multiple phases (solid, liquid, vapor, and glass), and chemical transformations. Moreover, various impurities can exist in these salts (corrosion products, fission products and moisture) which can dramatically change the salt's properties. In advanced energy systems such as solar thermal storage or next-generation nuclear reactors, these properties must be known over a large range of compositions and thermodynamic conditions. Yet, there are significant knowledge gaps in current scientific literature due to the difficulties in handling high-temperature, toxic and radioactive salts. This research will address these challenges by developing tools that combine enhanced molecular dynamics sampling methods, density functional theory, and uncertainty-informed neural network potentials to perform rapid computational materials screening and assessment. This work seeks to develop and deploy reliable methods for extending critical molten salt property databases, and improving the understanding of property relationships to guide materials selection and design. The student will work with experimental and computational collaborators from other US-based universities, national laboratories, and the advanced nuclear industry.
Qualifications
Applicants should have a B.S. or M.S in related degree such as physics, chemistry, chemical engineering, mechanical engineering, or nuclear engineering. Experience in coding, molecular dynamics, ab initio simulation or machine learning is preferred.
Application
To apply, send an email to Dr. Stephen Lam ([email protected]) with a resume or CV, latest academic transcript, and a brief statement of interest. For more information on the Lam Research Group visit the group website. The candidate will also need to apply to the PhD program in Chemical Engineering or Energy Engineering at the University of Massachusetts Lowell.