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quantum chemical calculations and molecular simulations Evaluating and developing molecular theories for association interactions with consideration of structural information Unifying descriptions
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focus on developing a molecular- and system-level understanding of CO₂ capture and release in e-DAC systems using computational modeling and simulation. The PhD candidate will apply computational
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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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well as other professional qualifications relevant for the PhD project like familiarity with molecular techniques in plants, particularly Solanaceous crops like potato and tomato will be taken into consideration
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might be the perfect fit for you. Responsibilities and qualifications The focus of this position is to describe via theory and computation how molecular systems behave on the fundamental level at