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molecular dynamics (MD), density functional theory (DFT), and quantum mechanics/molecular mechanics (QM/MM) approaches. Planned research activities will also rely on the application and further development
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, 7503–7507 (2015) • collaborate with theoreticians at CEMES to compare experiments with the band structure first-principles calculations based on the density functional theory (DFT). The National Intense
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will focus on the development of GPU-accelerated GPAW software based on density functional theory (DFT) for constant-potential calculations within a plane-wave framework. The developed software will be
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. Quantum Mechanical Calculations: - Performing first-principles based or Density Functional Theory (DFT) calculations for molecules/materials and interphases - Utilizing Molecular Dynamics (MD) simulations
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chemistry/density functional theory calculations Demonstrable programming skills Strong track record (commensurate to experience) Excellent communication skills and team work attitude Desirable criteria
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performing atomistic simulations with Density Functional Theory and Molecular Dynamics. Data analysis and coarse graining in order to provide parametrisations for upper scale models (Kinetic Monte Carlo and
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strongly recommended. • High Performance Computing. • Experience with High Throughput Calculations will be valued but it is not essential. • Previous knowledge of Density Functional Theory (DFT) and
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in Journal Citation Indexed (JCR) journals. Qualification or experience in any of the following disciplines: Life Cycle Assessment, Density Functional Theory or Materials Experimentation
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disciplines: Life Cycle Assessment, Density Functional Theory or Materials Experimentation & Characterization. WHAT WE OFFER A competitive and negotiable salary, commensurate with experience and expertise
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The University of Nevada, Reno (UNR) appreciates your interest in employment at our growing institution. We want your application process to go smoothly and quickly. Final applications must be