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to develop and analyse implementable, fully discrete methods for function approximation, density estimation, and/or time-dependent PDEs or SDEs in high dimensions, with links to UQ and theoretical
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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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opportunity to work in various areas of theoretical and computational chemistry such as quantum and semi-classical theory of molecules, electronic excited-state dynamics and relaxation, materials and light
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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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-eligible candidates will receive an annual stipend of £20,780 per year (pro rata part-time), plus full university fees and a research training support grant. Amphibian populations are declining globally due
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PhD student (m/f/d) in the field of chemistry, chemical engineering, materials science or comparable
command of written and spoken English Basic programming skills and basic knowledge in the fields of machine learning and material simulations (i.e., quantum chemistry, density-functional theory, machine
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Karlsruher Institut für Technologie (KIT) | Karlsruhe, Baden W rttemberg | Germany | about 2 months ago
-to-olefins, syngas-to-olefins) involve the production of hydrocarbons from renewable raw materials. In addition to periodic density functional theory (DFT), ab initio methods and molecular dynamics (MD
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looking for an outstanding candidate for a PhD researcher position focusing on quantum error correction and quantum information theory. The successful candidate will work under the supervision of Hsuan-Yin
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interatomic-potentials (MLIPs), refined for molten salt mixtures hosting other nuclear material solutes. We will perform density functional theory (DFT) calculations and molecular dynamics (MD) simulations
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) transport; • Are familiar with chemical simulation techniques, including but not limited to density functional theory, molecular dynamics, (kinetic) Monte Carlo modeling, finite-element modeling, and multi