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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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, or chemical physics. Candidates with expertise in density functional theory (DFT) or theoretical spectroscopy are particularly encouraged to apply. 4 selected references: A. Sasukimar et al
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a EU programme Is the Job related to staff position within a Research Infrastructure? No Offer Description The PhD candidate will play an active role in the scientific life of the SPIN-lab and will be
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computational, theoretical, or physical chemistry, or chemical physics. Candidates with expertise in density functional theory (DFT) or theoretical spectroscopy are particularly encouraged to apply. 4 selected
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electronicstructure simulation data (e.g., Molecular Dynamics, Monte Carlo, and Density Functional Theory) generated within the project to create high-quality training and validation datasets. Integrate AI/ML models
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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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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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-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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-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