Theoretical Prediction of Free-Energy for Complex Macromolecules Self-Assembly, M.Sc. Thesis Sharif University of Technology ; Tafazzoli, Mohsen (Supervisor) ; Ejtehadi, Mohammad Reza (Supervisor)
Abstract
These days, self-assembly is one of the most significant phenomena in chemistry and biology. Although There are some Experiments and Simulations which help us to understand self-assembly much more than before, their mechanism is poorly understood. As a result, Calculating Free-energy landscape could be a great development in this area.We use the Flat-histogram monte Carlo algorithm to calculate the density of states of a complex system. In this way, there is a comparison between the exact density of states of Ising Model and the same quantities that are obtained from Flat histogram Method. After that, there would be a combination of statistical thermodynamics and Graph theory toward drawing...
Cataloging briefTheoretical Prediction of Free-Energy for Complex Macromolecules Self-Assembly, M.Sc. Thesis Sharif University of Technology ; Tafazzoli, Mohsen (Supervisor) ; Ejtehadi, Mohammad Reza (Supervisor)
Abstract
These days, self-assembly is one of the most significant phenomena in chemistry and biology. Although There are some Experiments and Simulations which help us to understand self-assembly much more than before, their mechanism is poorly understood. As a result, Calculating Free-energy landscape could be a great development in this area.We use the Flat-histogram monte Carlo algorithm to calculate the density of states of a complex system. In this way, there is a comparison between the exact density of states of Ising Model and the same quantities that are obtained from Flat histogram Method. After that, there would be a combination of statistical thermodynamics and Graph theory toward drawing...
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