1 option
Field-theoretic simulations in soft matter and quantum fluids / edited by Glenn H. Fredrickson, Kris T. Delaney.
- Format:
- Book
- Series:
- International Series of Monographs on Physics
- International Series of Monographs on Physics ; v.173
- Language:
- English
- Subjects (All):
- Physics.
- Quantum field theory.
- Quantum liquids.
- Physical Description:
- 1 online resource (399 pages)
- Place of Publication:
- Oxford, England : Oxford University Press, [2023]
- Summary:
- 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.
- 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 fields: potentials and smearing
- Auxiliary fields: multiple components
- Electrostatic interactions
- Polymers and soft matter
- Linear homopolymer melts and solutions
- 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
- 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
- Cell relaxation at fixed concentration c
- Free-energy evaluation
- Direct method
- Thermodynamic integration
- Bennett's acceptance ratio method
- Coarse-graining methods
- Variational force-matching
- Extensions and opportunities
- Linking particle and field-based simulations
- Polymer formulations
- Multi-scale modeling with particles and fields
- Aqueous poly(ethylene oxide) solutions
- Appendix A Fourier Series and Transforms
- Appendix B Pressure and Stress Operators
- Appendix C Linear Forces and the RPA
- Appendix D Complex Langevin Theory
- References
- Index.
- Notes:
- Description based on print version record.
- Includes bibliographical references and index.
- Current Copyright Fee: GBP5.00 0.
- ISBN:
- 9780191939778
- 0191939773
- 9780192663238
- 0192663232
The Penn Libraries is committed to describing library materials using current, accurate, and responsible language. If you discover outdated or inaccurate language, please fill out this feedback form to report it and suggest alternative language.