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approaches Develop models to address the dynamics of electrons, excitons, and photons in atomic-scale optical environments (e.g., quantum master equation, Lindblad formalism) Integrate results of ab-initio
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: "Precise and accurate spectroscopy of weak molecular transitions supported by ab initio calculations" Where to apply E-mail szymon@umk.pl Requirements Research FieldPhysicsEducation LevelPhD or equivalent
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samples for the study. Further development will be granted by the dialog with advanced atomistic simulations (ab initio and tight-binding) carried out in the laboratory and the lively context offered by
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machine-learning and high-throughput methods, to ab initio calculation of electrochemical reaction kinetics. The position is funded by the Swedish Energy Agency’s research program “Sustainable Battery Value
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] * Background of the recruitment and description of the project Our team studies the nontrivial electronic properties of strongly correlated and topological materials using ab initio approaches. We aim to predict
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Alexander Neimark (Rutgers University), Dr Mathias Steiner (IBM Research), and Dr Yongqiang Cheng (Oak Ridge National Laboratory). Together, the team integrates molecular and ab initio simulations, machine
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computational methodologies, ranging from atomistic and electronic-structure–based materials modeling and characterization, via machine-learning and high-throughput methods, to ab initio calculation
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general, and specifically on systems with characteristic nanoscale features. They use finite element and ab initio software as numerical tools for modelling and analysis. We are seeking highly qualified and
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ultrasonic and/or laser acoustic measurements - Material characterization using electron microscopy techniques - Ab initio calculations of phase diagrams and material properties - Thermodynamic modeling - Data
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: Machine Learning Molecular Dynamics. The project involves the development and application of machine learning methods that enable a major boost of the time and length scales accessible to ab-initio/first