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computational profile acquiring expertise in periodic DFT calculations, neural network potentials, automated reaction-network exploration, and scientific large language model agents, all applied to chemically and
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to support machine learning model development to accelerate materials discovery: Perform high-throughput DFT and molecular dynamics simulations to investigate the thermodynamic, structural, and electronic
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the area of molecular life sciences? Your role The European Molecular Biology Laboratory (EMBL) invites you to apply for PhD positions in Heidelberg, Barcelona, Grenoble, Hamburg, Hinxton (near Cambridge
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chemistry and compound purification. Knowledge of molecular design and molecular modeling tools (e.g. QSAR models, pharmacophores, docking, molecular dynamics). A high level of motivation and interest in
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» Modelling tools Engineering » Control engineering Engineering » Simulation engineering Researcher Profile First Stage Researcher (R1) Positions PhD Positions Application Deadline 23 Mar 2026 - 23:59 (Europe
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descriptors to support machine learning model development to accelerate materials discovery: Perform high-throughput DFT and molecular dynamics simulations to investigate the thermodynamic, structural, and
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. To accomplish these objectives, we will combine metabolic modeling and omics-based approaches to identify key regulators of the targeted metabolic shifts. This foundational understanding will inform
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, antigen presentation and trained immunity) using mouse models that enable CPT1A gain or loss of function. Furthermore, the bioenergetic profile of macrophages both in vitro and ex vivo will be assessed