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ranked journal(s) is essential. You should be able to demonstrate strong computational modelling capabilities using first principle methods (e.g.: density functional theory), and expertise in quantum
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, reaction kinetics and dynamics, and theory/simulation of ultrafast time-resolved experiments. will be a part of the Physical Chemistry section at DTU Chemistry (https://www.kemi.dtu.dk/english/research
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project will employ calculations based on density functional theory (DFT) and extensions of DFT, such as DFT+U and DFT in combination with dynamical mean-field theory (DMFT). It is embedded in a consortium
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validate the predictions of the ML models by means of atomistic modeling, in particular density functional theory (DFT) calculations, obtaining simulated electronic and emission spectra for the CDs. Finally
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, statistical mechanics, reaction kinetics and dynamics, and theory/simulation of ultrafast time-resolved experiments. You will be a part of the Physical Chemistry section at DTU Chemistry (https
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of materials. The position requires extensive knowledge in performing quantum mechanical calculations (e.g., first principles density functional theory (DFT)) to elucidate complex reaction mechanisms occurring
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theory (Density Functional Theory, Wave Function Theory) is expected. - Solid experience with the Python programming language and Unix/Linux environment - Good command of scientific English, both written
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hydrogen generation, using density functional theory (DFT) and its time-dependent extension (TDDFT). 2. In silico design and characterization of new photosensitizers for green hydrogen generation, using
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model development, along with proficiency in programming (e.g., Mathematica, Python), is expected. Basic familiarity with density-functional theory (DFT) or similar computational methods is welcome
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The Nuclear Theory group at The Ohio State University invites applications for a postdoctoral position at the intersection of nuclear theory and astrophysics, focusing on the study of dense nuclear matter and