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molecular dynamics, docking (e.g., IFD), metadynamics, and free energy perturbation (FEP) techniques. Construct and contribute to the development of software tools for simulation and analysis. Integrate and
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Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences | Poland | about 2 months ago
properties and a variety of potential applications. Application of the molecular dynamics methods combined with the approach based on the thermodynamic models of multicharged surfactant adsorption can provide
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will involve applying multiple time-dependent electronic structure and nonadiabatic dynamic methods to model the CISS effect in molecular systems. Method development, potentially in the realm of time
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internationally recognised research. Details of the role The Post-doctoral fellow is part of a dynamic team focused on developing novel anti-angiogenic and antifibrotic therapies for age-related macular
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aims to digitalize the sense of smell, laying the foundation for understanding how olfaction works in humans and for building AI models that simulate olfactory experiences. The research will focus
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Centre (HDSC) focuses on systematically generating, mobilising, and harvesting “big data” to create a dynamic and agnostic collection of information enabling a better understanding of the clinical
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well as end-use requirements and sustainability. This project aims to create molecular understanding of adhesion mechanisms in bio-based wood adhesives. Anyone applying for this postdoc position should have
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, chemistry, computational science, or a related field. Strong expertise in at least two of the following: density functional theory (DFT)/many-body methods, molecular dynamics (MD), machine learning (ML
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. Piekarski ) This research initiative is dedicated to the theoretical and experimental exploration of the evolutionary dynamics of various molecular targets, including chiral molecules and molecular clusters
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from over 50 nations, it is the largest institute of the Max Planck Society. The Research Group Computational Biomolecular Dynamics (Prof. Dr. Bert de Groot) is inviting applications for a PhD Student or