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Field
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simulations (i.e., molecular dynamics and/or Monte Carlo methods) or liquid state theory (e.g., classical density functional theory) is highly desirable. The primary topic of research will be: Understanding how
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offloading in the CASTEP code . CASTEP is a leading software package for calculating the properties of materials from first principles using density functional theory. It enables the simulation of a wide range
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Duties and Responsibilities: You will perform molecular dynamics simulations using MILPs. You will perform density functional theory (DFT) calculations for solid state materials. You will build and train
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directly related to the type of work being performed. No experience is required. Additional Posting Information: The Nuclear Theory Group at the University of Houston has a postdoctoral position available
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will collaborate with other team members working on novel high-resolution microscopy techniques to experimentally quantify transition probabilities, alongside density functional theory (DFT) calculations
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), under Prof. Matheus Paes Lima. The research focuses on Density Functional Theory (DFT) simulations of point defects in perovskites and 2D materials for new energy applications. Research focus
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, chemistry, chemical engineering or a related field, and demonstrated expertise and experience in the development and application of computational methods such as density functional theory (DFT), kinetic Monte
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Scientists Workstudy Position: No Job Type: Fixed Duration of Project/Grant (Fixed Term) Work Shift: Day Shift (United States of America) Sponsorship Available: No Institution Name: University of Arkansas
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] * Address 351-0198 Saitama 2-1 Hirosawa, Wako, Spin Physics Theory Research Team, RIKEN Center for Emergent Matter Science RIKEN has implemented a work-from-home system. Employees can work from home in
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vibrational emission features dominating the spectra of entire galaxies. Anharmonic spectra for PAHs can be calculated using 2nd order Vibrational Perturbation Theory on Density Functional Theory derived