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This monograph provides an introduction to field-theoretic simulations in classical soft matter and Bose quantum fluids. The method represents a new class of molecular computer simulation in which continuous fields, rather than particle coordinates, are sampled and evolved. Field-theoretic simulations are capable of analysing the properties of systems that are challenging for traditional simulation techniques, including dense phases of high molecular weight polymers, self-assembling fluids, and quantum fluids at finite temperature. The monograph details analytical methods for converting classical and quantum many-body problems to equilibrium field theory models with a molecular basis. Numerical methods are described that enable efficient, accurate, and scalable simulations of such models on modern computer hardware, including graphics processing units (GPUs). Extensions to non-equilibrium systems are discussed, along with an introduction to advanced field-theoretic simulation techniques including free energy estimation, alternative ensembles, coarse-graining, and variable cell methods.
Soft matter and biological systems pose many challenges for theoretical, experimental and computational research. From the computational point of view, these many-body sytems cover variations in relevant time and length scales over many orders of magnitude. Indeed, the macroscopic properties of materials and complex fluids are ultimately to be deduced from the dynamics of the microsopic, molecular level. In these lectures, internationally renowned experts offer a tutorial presentation of novel approaches for bridging these space and time scales in realistic simulations. This volume addresses graduate students and nonspecialist researchers from related areas seeking a high-level but accessible introduction to the state of the art in soft matter simulations.
The application of field theoretic techniques to problems in condensed matter physics has generated an array of concepts and mathematical techniques to attack a range of problems such as the theory of quantum phase transitions, the quantum Hall effect, and quantum wires. While concepts such as the renormalization group, topology, and bosonization h
Soft matter and biological systems pose many challenges for theoretical, experimental and computational research. From the computational point of view, these many-body sytems cover variations in relevant time and length scales over many orders of magnitude. Indeed, the macroscopic properties of materials and complex fluids are ultimately to be deduced from the dynamics of the microsopic, molecular level. In these lectures, internationally renowned experts offer a tutorial presentation of novel approaches for bridging these space and time scales in realistic simulations. This volume addresses graduate students and nonspecialist researchers from related areas seeking a high-level but accessible introduction to the state of the art in soft matter simulations.
Soft matter science is nowadays an acronym for an increasingly important class of materials, which ranges from polymers, liquid crystals, colloids up to complex macromolecular assemblies, covering sizes from the nanoscale up the microscale. Computer simulations have proven as an indispensable, if not the most powerful, tool to understand properties of these materials and link theoretical models to experiments. In this first volume of a small series recognized leaders of the field review advanced topics and provide critical insight into the state-of-the-art methods and scientific questions of this lively domain of soft condensed matter research.
This primer is aimed at elevating graduate students of condensed matter theory to a level where they can engage in independent research. Topics covered include second quantisation, path and functional field integration, mean-field theory and collective phenomena.
“Soft matter” is nowadays used to describe an increasingly important class of - terials that encompasses polymers, liquid crystals, molecular assemblies building hierarchical structures, organic-inorganic hybrids, and the whole area of colloidal science. Common to all is that ?uctuations, and thus the thermal energy k T and B entropy, play an important role. “Soft” then means that these materials are in a state of matter that is neither a simple liquid nor a hard solid of the type studied in hard condensed matter, hence sometimes many types of soft matter are also named “c- plex ?uids. ” Soft matter, either of synthetic or biological origin, has been a subject of physical and chemical research since the early ?nding of Staudinger that long chain mo- cules exist. From then on, synthetic chemistry as well as physical characterization underwent an enormous development. One of the outcomes is the abundant pr- ence of polymeric materials in our everyday life. Nowadays, methods developed for synthetic polymers are being more and more applied to biological soft matter. The link between modern biophysics and soft matter physics is quite close in many respects. This also means that the focus of research has moved from simple - mopolymers to more complex structures, such as branched objects, heteropolymers (random copolymers, proteins), polyelectrolytes, amphiphiles and so on.
Hard spheres and related objects (hard disks and mixtures of hard systems) are paradigmatic systems: indeed, they have served as a basis for the theoretical and numerical development of a number of fields, such as general liquids and fluids, amorphous solids, liquid crystals, colloids and granular matter, to name but a few. The present volume introduces and reviews some important basics and progress in the study of such systems. Their structure, thermodynamic properties, equations of state, as well as kinetic and transport properties are considered from different and complementary points of view. This book addresses graduate students, lecturers as well as researchers in statistical mechanics, physics of liquids, physical chemistry and chemical engineering.
Computer Simulation Studies in Condensed-Matter Physics VIII covers recent developments in this field presented at the 1995 workshop, such as new algorithms, methods of analysis, and conceptual developments. This volume is composed of three parts. The first part contains invited papers that deal with simulational studies of classical systems. The second part is devoted to invited papers on quantum systems, including new results for strongly correlated electron and quantum spin models. The final part comprises contributed presentations.