Dissipative Particle Dynamics

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]. Kolattukudy P. Santo is a research assistant professor at the department of chemical and biochemical engineering, Rutgers University, New Jersey, USA. Dr Santo obtained his Ph.D. in theoretical chemistry at the Indian Institute of Science, Bengaluru, India. After receiving his Ph.D., he worked as a post-doctoral fellow and visiting scientist at the National Institute of Nanotechnology (NRC) and University of Alberta in Edmonton, Canada, and later at the department of chemistry, University of North Carolina at Chapel Hill. Before joining Rutgers University in 2015, he worked as a teaching faculty at the department of physics, Central University of Kerala, Kasaragod, India. Dr Santo has published 23 articles in international journals on theory and computational studies of diverse fields of soft matter, which include various polymeric systems, metal-polymer complexes, lipid membranes, proteins, and polysaccharides, isurfactant and nanoparticle solutions, and colloids. His main area of expertise is atomistic and coarse-grained molecular dynamics and dissipative particle dynamics simulations. He has published 23 papers in leading research journals.

PART-I MESOSCALE LANDSCAPE OF COMPLEX MATERIALS
1. Mesoscale Materials Landscape
2. Multiscale simulations

PART II. DPD FUNDAMENTALS
3. Principles of DPD
4. Advanced DPD formulations
5. Phase boundaries in DPD systems
6. Parametrization of DPD models

PART III. DPD APPLICATIONS
7. Multiphase Systems
8. Surfactant Solutions
9. Polymeric Systems
10. Block copolymers
11. Polymer-grafted surfaces
12. Polyelectrolyte solutions and polymer-metal complexes
13. Polyelectrolyte membranes (PEMs)
14. Nanoparticle (NP) systems
15. Lipid membranes
16. Colloidal Systems
17.Biological systems
18. Other systems

PART IV: IMPLEMENTATION OF DPD MODELS FOR HIGH- PERFORMANCE COMPUTATIONS
19. Software for DPD simulation

PART V: DPD IN A NUTSHELL
20. Concluding Remarks