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Field
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of advanced materials. Research efforts will include the application of density functional theory packages and in-house codes, and the development of supplemental numerical tools, to describe
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computational condensed matter physics. We seek a motivated researcher with expertise in density functional theory (DFT) to study emergent phenomena in quantum materials. Research Areas - Correlated electronic
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to apply. We seek candidates with expertise in some or all the following areas: density functional theory, deep learning, high-throughput simulations, molecular dynamics, and materials chemistry. Strong
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computational datasets of disordered materials based on density functional theory calculations and training machine learning models to accelerate the predictions. This work will involve collaboration with Assoc
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of HPC Scientific Domain Expertise: While the position is open to various backgrounds, proven expertise in molecular simulation and density functional theory (DFT) is a significant asset to support ongoing
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papers and reports. We are looking for: Ph.D. in Chemistry/Physics/Materials Science, or similar fields. Density Functional Theory, Molecular Dynamics (ab-initio MD and/or nonadiabatic MD), Kinetic
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to scientific research papers and reports. We are looking for: Ph.D. in Chemistry/Physics/Materials Science, or similar fields. Density Functional Theory, Molecular Dynamics (ab-initio MD and/or nonadiabatic MD
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of attoseconds to femtoseconds. The project will involve working with first principles time dependent density function theory (TD-DFT, as implemented in the Elk code) [1-3]. A background including experience in
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. In this project, we aim to develop digital tools combining density functional theory (DFT) and machine learning (ML) to accelerate the in-silico design of solid catalysts for the DA process. - Perform
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systems at various scales, for example using ab initio electronic structure methods like density-functional theory, developing interatomic potentials with various methodologies including machine learning