Theory And Simulations Of Molecular Self Assembly PDF Download

Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Theory And Simulations Of Molecular Self Assembly PDF full book. Access full book title Theory And Simulations Of Molecular Self Assembly.

Self-Assembling Systems

Self-Assembling Systems
Author: Li-Tang Yan
Publisher: John Wiley & Sons
Total Pages: 384
Release: 2016-10-06
Genre: Science
ISBN: 1119113156

Download Self-Assembling Systems Book in PDF, ePub and Kindle

Provides comprehensive knowledge on concepts, theoretical methods and state-of-the-art computational techniques for the simulation of self-assembling systems Looks at the field of self-assembly from a theoretical perspective Highlights the importance of theoretical studies and tailored computer simulations to support the design of new self-assembling materials with useful properties Divided into three parts covering the basic principles of self-assembly, methodology, and emerging topics


Theoretical Investigations of Molecular Self-assembly on Symmetric Surfaces

Theoretical Investigations of Molecular Self-assembly on Symmetric Surfaces
Author: Emilian Tuca
Publisher:
Total Pages:
Release: 2019
Genre:
ISBN:

Download Theoretical Investigations of Molecular Self-assembly on Symmetric Surfaces Book in PDF, ePub and Kindle

Surface self-assembly, the spontaneous aggregation of molecules into ordered, sta- ble, noncovalently joined structures in the presence of a surface, is of great importance to the bottom-up manufacturing of materials with desired functionality. As a bulk phenomenon informed by molecular-level interactions, surface self-assembly involves coupled processes spanning multiple length scales. Consequently, a computational ap- proach towards investigating surface self-assembled systems requires a combination of quantum-level electronic structure calculations and large-scale multi-body classical simulations. In this work we use a range of simulation approaches from quantum-based methods, to classical atomistic calculations, to mean-field approximations of bulk mixed phases, and explore the self-assembly strategies of simple dipoles and polyaromatic hydrocarbons on symmetric surfaces.


Simulation Studies of Self-assembly and Phase Diagram of Amphiphilic Molecules

Simulation Studies of Self-assembly and Phase Diagram of Amphiphilic Molecules
Author: Geuorgui Bourov
Publisher:
Total Pages: 112
Release: 2005
Genre:
ISBN:

Download Simulation Studies of Self-assembly and Phase Diagram of Amphiphilic Molecules Book in PDF, ePub and Kindle

The phase diagrams of different amphiphilic molecular structures are investigated in separate simulations by employing the Gibbs Ensemble Monte Carlo method with an implemented configurational-bias technique. The computer simulations of the above mentioned amphiphilic systems are done in an area where physics, biology and chemistry are closely connected and advances in applications require the use of new theoretical, experimental and simulation methods for a better understanding of their self-assembling properties. Obtained simulation results demonstrate the connection between the structure of amphiphilic molecules and the properties of their thermodynamically stable aggregates and thus build a foundation for many applications of the remarkable phenomena of amphiphilic self-assembly in the area of nanotechnology.


Molecular Self-Assembly

Molecular Self-Assembly
Author: Alex Li Dequan
Publisher: CRC Press
Total Pages: 464
Release: 2012-12-20
Genre: Science
ISBN: 9814364312

Download Molecular Self-Assembly Book in PDF, ePub and Kindle

In the past several decades, molecular self-assembly has emerged as one of the main themes in chemistry, biology, and materials science. This book compiles and details cutting-edge research in molecular assemblies ranging from self-organized peptide nanostructures and DNA-chromophore foldamers to supramolecular systems and metal-directed assemblies


Foundations of Molecular Modeling and Simulation

Foundations of Molecular Modeling and Simulation
Author: Edward J. Maginn
Publisher: Springer Nature
Total Pages: 228
Release: 2021-03-25
Genre: Science
ISBN: 9813366397

Download Foundations of Molecular Modeling and Simulation Book in PDF, ePub and Kindle

This highly informative and carefully presented book comprises select proceedings of Foundation for Molecular Modelling and Simulation (FOMMS 2018). The contents are written by invited speakers centered on the theme Innovation for Complex Systems. It showcases new developments and applications of computational quantum chemistry, statistical mechanics, molecular simulation and theory, and continuum and engineering process simulation. This volume will serve as a useful reference to researchers, academicians and practitioners alike.


Multi-scale Modeling in Molecular Self-assembly

Multi-scale Modeling in Molecular Self-assembly
Author: Tien Minh Phan
Publisher:
Total Pages:
Release: 2021
Genre:
ISBN:

Download Multi-scale Modeling in Molecular Self-assembly Book in PDF, ePub and Kindle

The study of molecular self-assembly has attracted considerable interest over the decades due to its wide-ranging applications in chemistry, materials science, and biology. The challenge in studying molecular self-assembly is that it involves complex spatiotemporal scales ranging from short-lived microscopic events to lifelong macroscopic architectures. This work aims to investigate the molecular self-assembly in different systems to better understand the macroscopic properties of microscopic activities. To overcome the complexity of time scale and length scale, we employed a combination of computer simulations and simple analytic theories to develop multi-scale models to study the systems of interest. We find that: (1) in the slow growth regime of crystalline solids, impurity particles can speed up crystal growth with minimal impact on the final product, (2) in the self-assembly of peptides into amyloid fibrils the conformational entropy plays an important role in the transition from nucleation to elongation, (3) in biomolecule condensates, the surface tension arises from the competition between binding energy and configurational entropy. These results highlight the power of multi-scale models to interpret macroscopic physical observables in terms of fundamental microscopic mechanisms in molecular self-assembly processes.


Self-Assembly and Nanotechnology Systems

Self-Assembly and Nanotechnology Systems
Author: Yoon S. Lee
Publisher: John Wiley & Sons
Total Pages: 482
Release: 2011-10-24
Genre: Technology & Engineering
ISBN: 1118103696

Download Self-Assembly and Nanotechnology Systems Book in PDF, ePub and Kindle

A fundamental resource for understanding and developing effective self-assembly and nanotechnology systems Systematically integrating self-assembly, nanoassembly, and nanofabrication into one easy-to-use source, Self-Assembly and Nanotechnology Systems effectively helps students, professors, and researchers comprehend and develop applicable techniques for use in the field. Through case studies, countless examples, clear questions, and general applications, this book provides experiment-oriented techniques for designing, applying, and characterizing self-assembly and nanotechnology systems. Self-Assembly and Nanotechnology Systems includes: Techniques for identifying assembly building units Practical assembly methods to focus on when developing nanomaterials, nanostructures, nanoproperties, nanofabricated systems, and nanomechanics Algorithmic diagrams in each chapter for a general overview Schematics designed to link assembly principles with actual systems Hands-on lab activities This informative reference also analyzes the diverse origins and structures of assembly building units, segmental analysis, and selection of assembly principles, methods, characterization techniques, and predictive models. Complementing the author's previous conceptually based book on this topic, Self-Assembly and Nanotechnology Systems is a practical guide that grants practitioners not only the skills to properly analyze assembly building units but also how to work with applications to exercise and develop their knowledge of this rapidly advancing scientific field.


Macromolecular Self-Assembly

Macromolecular Self-Assembly
Author: Laurent Billon
Publisher: John Wiley & Sons
Total Pages: 290
Release: 2016-09-06
Genre: Technology & Engineering
ISBN: 1118887123

Download Macromolecular Self-Assembly Book in PDF, ePub and Kindle

This book describes techniques of synthesis and self-assembly of macromolecules for developing new materials and improving functionality of existing ones. Because self-assembly emulates how nature creates complex systems, they likely have the best chance at succeeding in real-world biomedical applications. • Employs synthetic chemistry, physical chemistry, and materials science principles and techniques • Emphasizes self-assembly in solutions (particularly, aqueous solutions) and at solid-liquid interfaces • Describes polymer assembly driven by multitude interactions, including solvophobic, electrostatic, and obligatory co-assembly • Illustrates assembly of bio-hybrid macromolecules and applications in biomedical engineering