A5078193828- Block Copolymer Self-Assembly
- Model Reduction and Neural Networks
- Material Dynamics and Properties
- Markov Chains and Monte Carlo Methods
- Gaussian Processes and Bayesian Inference
- Lattice Boltzmann Simulation Studies
- Theoretical and Computational Physics
- Bayesian Methods and Mixture Models
- Rheology and Fluid Dynamics Studies
- Psychosomatic Disorders and Their Treatments
- Fluid Dynamics Simulations and Interactions
- Spectroscopy and Quantum Chemical Studies
- Remote Sensing and LiDAR Applications
- Numerical methods in engineering
- Quantum many-body systems
- Infant Health and Development
- Child and Adolescent Psychosocial and Emotional Development
- Music Therapy and Health
- Traumatic Brain Injury Research
- Thermoelastic and Magnetoelastic Phenomena
- Land Use and Ecosystem Services
- Mathematical Biology Tumor Growth
- Ultrasonics and Acoustic Wave Propagation
- Advanced Thermodynamics and Statistical Mechanics
- Polymer crystallization and properties
University of Birmingham
2020-2025
Turing Institute
2022-2025
The Alan Turing Institute
2022-2025
British Library
2022-2025
ETH Zurich
2017
Charles Humbert 8
2017
University of Edinburgh
2014-2016
Maxwell Institute for Mathematical Sciences
2016
University of Science and Technology Beijing
2014
We review and compare numerical methods that simultaneously control temperature while preserving the momentum, a family of particle simulation commonly used for modelling complex fluids polymers. The class considered includes dissipative dynamics (DPD) as well extended stochastic-dynamics models incorporating generalized pairwise thermostat scheme in which stochastic forces are eliminated coefficient dissipation is treated an additional auxiliary variable subject to feedback (kinetic energy)...
We study numerical methods for sampling probability measures in high dimension where the underlying model is only approximately identified with a gradient system. Extended stochastic dynamical are discussed which have application to multiscale models, nonequilibrium molecular dynamics, and Bayesian techniques arising emerging machine learning applications. In addition providing more comprehensive discussion of foundations these methods, we propose new method adaptive Langevin/stochastic...
Dissociation is associated with clinical severity, increased risk of suicide and self-harm, disproportionately affects adolescents young adults. Whilst evidence indicates multiple factors contribute to dissociative experiences, a multi-factorial explanation for dissociation has yet be achieved. We used regression investigate the relative influence five plausible (childhood trauma, loneliness, marginalisation, socio-economic status, everyday stress), machine learning generate tentative...
Introduction: Dissociation is associated with clinical severity, increased risk of suicide and self-harm, disproportionately affects adolescents young adults. Whilst evidence indicates multiple factors contribute to dissociative experiences, a multifactorial explanation for dissociation has yet be achieved. Methods: We used regression investigate the relative influence five plausible (childhood trauma, loneliness, marginalisation, socio-economic status, everyday stress), machine learning...
We study the optimal design of numerical integrators for dissipative systems, which there exists an underlying thermodynamic structure known as GENERIC (general equation nonequilibrium reversible-irreversible coupling). present a frame-work to construct structure-preserving by splitting system into reversible and irreversible dynamics. The part, is often degenerate reduces Hamiltonian form on its symplectic leaves, solved using method (e.g., Verlet) with variables being left unchanged,...
Abstract Analysis of forest disturbance patterns in relation to precipitation seasonality is important for understanding African tropical dynamics under changing climate conditions and different levels human activities. Newly available radar-based information now enables an investigation the intra-annual relationship between a spatially temporally explicit manner, especially tropics, where frequent cloud cover hinders use optical-based remote sensing products. In this study, we applied...
Improving the efficiency (analogous to size of gear) for polymer melts simulation.
We examine the formulation and numerical treatment of dissipative particle dynamics (DPD) momentum-conserving molecular dynamics. show that it is possible to improve both accuracy stability DPD by employing a pairwise adaptive Langevin thermostat precisely matches dynamical characteristics simulations (e.g., autocorrelation functions) while automatically correcting thermodynamic averages using negative feedback loop. In low friction regime, replace simpler variant Nosé–Hoover–Langevin method...
Monte Carlo sampling for Bayesian posterior inference is a common approach used in machine learning. The Markov Chain procedures that are often discrete-time analogues of associated stochastic differential equations (SDEs). These SDEs guaranteed to leave invariant the required distribution. An area current research addresses computational benefits gradient methods this setting. Existing techniques rely on estimating variance or covariance subsampling error, and typically assume constant...
LAMMPS is a powerful simulator originally developed for molecular dynamics that, today, also accounts other particle-based algorithms such as DEM, SPH, or Peridynamics. The versatility of this software further enhanced by the fact that it open-source and modifiable users. This property suits particularly well Discrete Multiphysics hybrid models combine multiple particle methods in same simulation. Modifying can be challenging researchers with little coding experience. available material...
We study the time correlation functions of coupled linear Langevin dynamics with and without inertial effects, both analytically numerically. The model equation represents physical behavior a harmonic oscillator in two or three dimensions presence friction, additive noise, an external field rotational deformational components. This simple plays pivotal roles understanding more complicated processes. analytical solution presented serves as test numerical integration schemes, its derivation is...
Related DatabasesWeb of Science You must be logged in with an active subscription to view this.Article DataHistorySubmitted: 6 May 2020Accepted: 19 February 2021Published online: 27 2021Keywordsstochastic differential equations, dissipative particle dynamics, splitting methods, order convergence, invariant measure, transport propertiesAMS Subject Headings65C30, 60H35, 37M25Publication DataISSN (print): 1064-8275ISSN (online): 1095-7197Publisher: Society for Industrial and Applied...
Background: Dissociation is associated with clinical severity, increased risk of suicide and self-harm, disproportionately affects adolescents young adults. Whilst existing literature indicates that multiple factors contribute to dissociative experiences, including – but not limited trauma, a multi-factorial explanation for dissociation has yet be achieved. Aims: To investigate the relative influence five plausible causal (childhood loneliness, marginalisation, socio-economic status,...