Dissipative Particle Dynamics - Neimark, Alexander V

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Résumé :
Part I: MESOSCALE LANDSCAPE OF COMPLEX MATERIALS
1. The Mesoscale Landscape of Soft Matter
2. Multiscale simulations
Part II: DPD FUNDAMENTALS
3. DPD Formulation
4. Advanced DPD formulations
5. Boundary Conditions in DPD Models
6. Parametrization of DPD Coarse-grained Systems
Part III: DPD APPLICATIONS
7. Multiphase Systems
8. Surfactant Systems
9. Polymer Solutions and Melts
10. Block Copolymers
11. Polymer-grafted Surfaces
12. Polyelectrolyte solutions and polymer-metal complexes
13. Polyelectrolyte membranes
14. Nanoparticle Systems
15. Lipid membranes
16. Colloidal Systems
17. Biopolymers
Part IV: IMPLEMENTATION OF DPD MODELS FOR HIGH - PERFORMANCE COMPUTATIONS
18. Running DPD simulations
Part V: DPD IN A NUTSHELL
19. Conclusions: DPD in a Nutshell...

Biographie:
Alexander V. Neimark is a Distinguished Professor of Chemical and Biochemical Engineering at Rutgers University, USA. He received his Doctor of Science degree at the Moscow State University and worked at the Institute of Physical Chemistry of Russian Academy of Sciences. After receiving the Humboldt fellowship in 1992, he worked at Mainz University (Germany) and then held visiting positions at CNRS (France), and Yale University (USA). Prior to joining Rutgers in 2006, he served as Research Director of the Center for Modeling and Characterization of Nanoporous Materials at the Textile Research Institute (TRI/Princeton) in 1996-2006. He is a recipient of many national and international awards and honored appointments, including Guggenheim Fellow, Blaise Pascal International Chair, Humboldt Fellow, Fellow of American Institute of Chemical Engineers, Fellow of International Adsorption Society, Distinguished Visiting Fellow of the Royal Academy of Engineering, and Leverhulme Professorship. He published 280+ research papers with 31,500+ citations and Hirsh index h=74.

Neimark's research interests include thermodynamics, statistical mechanics, and molecular modelling of adsorption, transport, and interfacial phenomena in nanoporous and nanostructured materials and self-assembly in surfactant and polymeric soft matter systems. For the last 12 years, his group at Rutgers has been actively involved in the development of novel simulation methods within the dissipative particle dynamics framework that resulted in 3 PhD and 3 MS dissertations and 20 papers, including a comprehensive historical perspective review [K.P. Santo and A.V. Neimark, Dissipative Particle Dynamics Simulations in Colloid and Interface Science, Advances in Colloid and Interface Science, 2021, V.298, 102545,?DOI: 10.1016/j.cis.2021.102545]....

Sommaire:

Dissipative Particle Dynamics: Fundamentals and Applications in Soft Matter Science and Engineering comprehensively presents the fundamentals of dissipative particle dynamics (DPD)?theoretical formulations and computational strategies, providing practical guidance on the application of DPD models to various colloidal and interfacial phenomena involving phase separations, self-assembly and transport in complex fluids, polymeric, surfactant, nanoparticle, and biological systems. In addition, the book contains instructive advice on efficient implementation of the DPD models in open-source computational packages. Since the introduction of the principles of DPD methodology, multiple efforts have been made to improve the computational basis of DPD, and to devise advanced versions and modifications. There are numerous research papers on this topic, but no books until now. Readers will find this to be a comprehensive reference source of multifaceted, interdisciplinary applications that provides practical guidance for efficient computational implementation.