Field-theoretic simulations in soft matter and quantum fluids /
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.
| Main Authors: | , |
|---|---|
| Format: | eBook |
| Language: | English |
| Published: |
Oxford ; New York, NY :
Oxford University Press,
[2023]
|
| Series: | International series of monographs on physics (Oxford, England) ;
173. |
| Subjects: | |
| Online Access: | Connect to the full text of this electronic book |
Table of Contents:
- Intro
- cover
- Titlepage
- copyright
- preface
- Acknowledgements
- contents
- Introduction
- Mathematical preliminaries
- Functional notation
- Functional calculus
- Gaussian integrals
- Delta functions and functionals
- Phenomenological field theories
- Molecularly-informed field theories
- Auxiliary field representation
- Coherent states representation
- Continuous polymer chains
- Bosonic quantum field theory
- Classical Equilibrium Theory: Particles to Fields
- Classical monatomic fluids
- Density-explicit, auxiliary field representation
- Auxiliary field representation
- Auxiliary fields: potentials and smearing
- Auxiliary fields: multiple components
- Electrostatic interactions
- Polymers and soft matter
- Linear homopolymer melts and solutions
- Coherent states representation
- Continuous polymer chains
- Other chain architectures
- Multicomponent polymers and soft matter
- Charged polymers
- Quantum Equilibrium Theory: Particles to Fields
- Particle representation and Feynman path integrals
- Imposition of Bose symmetry
- Path integral Monte Carlo
- Coherent states field theory representation
- Second quantization
- Coherent states
- Coherent states path integral
- Field operators
- Other ensembles and external potentials
- Canonical ensemble
- External potentials and artificial gauge fields
- Quantum lattice models
- Quantum spin models
- Numerical Methods for Field Operations
- Cells and boundary conditions
- Pseudo-spectral methods
- Periodic boundary conditions
- Non-periodic boundary conditions
- Modified diffusion equation
- Higher spatial dimensions
- Discrete chain models
- Parallel computing and GPUs
- Hardware trends
- Software implementation
- Numerical Methods for Field-Theoretic Simulations
- Mean-field solutions
- Root-finding versus optimization
- Auxiliary field polymer models
- Coherent state polymer models
- Coherent state boson models
- Including fluctuations: field-theoretic simulations
- Models without a sign problem
- Complex Langevin theory
- Algorithms for AF polymer models
- Algorithms for CS polymer models
- Algorithms for CS boson models
- Methodology, error analysis, and troubleshooting
- Mean-field solutions
- Field-theoretic simulations
- Troubleshooting
- Non-equilibrium Extensions
- Quantum fluids and magnets
- Non-equilibrium quantum field theory and Keldysh contours
- Coherent states representation of the generating functional
- Non-equilibrium field operators
- Numerical methods
- Classical polymers and soft matter
- Phenomenological methods with a molecular basis
- Hybrid methods: Single chain in a mean-field
- Advanced Simulation Methods
- Alternative ensembles
- Isothermal-isobaric ensemble for classical polymers
- Gibbs ensemble for classical polymers
- Microcanonical ensemble for Bose fluid
- Variable cell shape methods
- Isothermal-isotension ensemble