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will involve both computational predictions and experimental validation. The project will combine density functional theory calculations with machine learning and molecular dynamics simulations
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hybrid organic-inorganic glasses and compare their vibrational properties against each other as well as more established glass families. The project will complement molecular dynamics simulations with
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. To do so, you will combine atomistic simulations (density functional theory and ab-initio molecular dynamics simulations) with new machine learning models to parameterize machine learning force fields
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for catalysis of sustainable chemical processes. Visualizing Chemical Dynamics in Real Time Apply advanced atomic-resolution imaging and image analysis to uncover surface dynamics, reactivity and molecular
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content in foods and communicating the results to the public, we invite you to apply for the position and to join the dynamic research teams involved in MICROSUNSET. Research on vitamin D The primary
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complex materials simulations. These agents will assist with setting up, executing, and optimizing electronic structure workflows, from standard ground-state Density Functional Theory (DFT) calculations
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communicating the results to the public, we invite you to apply for the position and to join the dynamic research teams involved in MICROSUNSET. Research on vitamin D The primary objective of the PhD project is