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polymers are macromolecules with one key distinguishing feature: they have no ends. This seemingly trivial fact has significant consequences for molecular conformation, dynamics and material properties
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physical parameters, namely the anisotropies and the diffusion coefficients, will be obtained from molecular dynamics calculations in collaboration with Science et Ingénierie, Matériaux, Procédés (SIMAP
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the dynamics of immune responses to Salmonella Typhimurium and Pseudomonas aeruginosa in order to identify the mechanisms of bacterial persistence. - main mission: The main objective is to investigate, in a
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these insights with larger-scale soil and plant models. Perform molecular dynamics simulations to investigate interactions between soil organic matter (SOM), extracellular polymeric substances (EPS), water, and
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simulation techniques, including density functional theory (DFT), molecular dynamics, Monte Carlo methods, and free‑energy perturbation calculations. Develop and implement novel computational methodologies and
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measure their mechanical, adhesive and frictional properties. By combining these data with classical molecular dynamics simulations and a molecular-scale approach to the thermodynamics of molecular
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Kong, Hong Kong [map ] Subject Areas: Physics / Applied Physics , Atomic Molecular and Optical Physics , Atomic Physics , Atomic, Molecular, and Optical Physics , atomic-molecular-optical physics
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property prediction, modern artificial intelligence methods, molecular dynamics, and interdisciplinary research, this is your chance to be part of an exciting journey at the forefront of science and
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Engineering, Computer Science, or a related field. Accompanying Knowledge, Skills, Abilities and Competencies Excellent abilities in molecular modeling and simulations (molecular dynamics or Monte Carlo
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” led by Prof. Rafał Szabla. This project focuses on understanding the mechanistic aspects of nonenzymatic RNA self-replication using methods of molecular dynamics and quantum chemistry. In particular