CORDIS Project
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This project focuses on the theory and simulation of self-organization to predict and design systems with specific characteristics. It aims to develop new methodologies for exploring energy landscapes, facilitating applications in material design and drug discovery, particularly for proteins and nucleic acids.
This research proposal concerns the theory and computer simulation of self-organisation to predict properties and to design systems with specified characteristics.
The key computational challenge is to explore the energy landscape for complex systems and make predictions to characterise efficient self-organisation on experimental time and length scales.
Novel methodology is required to overcome the problems of broken ergodicity and rare events.
The theoretical framework exploits stationary point…
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