Publications

Recent

(For a full list see below or go to Google Scholar).

Dynamic density functional theory for sedimentation processes on complex domains: Modelling, spectral elements, and control problems

We develop theory and numerical methods for the solution and control of sedimentation problems, including volume exclusion, for complex fluids on complicated domains.

J. C. Roden, B. D. Goddard, and J. W. Pearson

J. Chem. Phys, 159, 154102, 2023

On the study of slow-fast dynamics, when the fast process has multiple invariant measures

Motivated by applications in mathematical biology, we show that a system with a slow ODE and a fast continuous Markov process with finite state space has limiting dynamics described by a random ODE.

B. D. Goddard, M. Ottobre, K. J. Painter, and I. Souttar

Proc. R. Soc. A 479, 20230322, 2023

Improving tobacco social contagion models using agent-based simulations on networks

We develop an agent-based model for smoking contagion and analyse its behaviour on a range of networks, demonstrating that various synthetic networks can be substituted for real-world networks if required.

A. Prbhakarna, V. Restocchi, and B. D. Goddard

ANS, 8, 54, 2023

Non-mean-field Vicsek-type models for collective behavior

We consider interacting particle dynamics with Vicsek-type interactions, and their macroscopic Partial Differential Equation (PDE) limit, in the non-mean-field regime.

P. Buttà, B. D. Goddard, T. M. Hodgson, M. Ottobre, and K. J. Painter

M3AS, 32(14), 2763-2816, 2022

Preprints

A Numerical Framework for the Parameter Identification of the SIRD Model
A. Miniguano-Trijllo, J. W. Pearson, and B. D. Goddard
arxiv

Changing the flow profile and resulting drying pattern of dispersion droplets via contact angle modification
C. Morcillo Perez, M. Rey, B. D. Goddard, and J. H. J. Thijssen
arxiv

Poisson Equations with locally-Lipschitz coefficients and Uniform in Time Averaging for Stochastic Differential Equations via Strong Exponential Stability
D. Crisan, P. Dobson, B. D. Goddard, M. Ottobre, and I. Souttar
arxiv

Virtual Maths Circles: helping young people to think like researchers
F. Iezzi, M. O’Brien, and B. D. Goddard
Accepted in Research for All

Binding potential and wetting behaviour of binary liquid mixtures on surfaces
M. Areshi, D. Tseluiko, U. Thiele, B. D. Goddard, and A. J. Archer

MultiShape: A Spectral Element Method, with Applications to Dynamic Density Functional Theory and PDE-Constrained Optimization
J. Roden, R. D. Mills-Williams, J. W. Pearson, and B. D. Goddard

Full List

[32] Dynamic density functional theory for sedimentation processes on complex domains: Modelling, spectral elements, and control problems
J. C. Roden, B. D. Goddard, and J. W. Pearson
J. Chem. Phys, 159, 154102, 2023

[31] On the study of slow-fast dynamics, when the fast process has multiple invariant measures
B. D. Goddard, M. Ottobre, K. J. Painter, and I. Souttar
Proc. R. Soc. A 479, 20230322, 2023

[30] Improving tobacco social contagion models using agent-based simulations on networks
A. Prbhakarna, V. Restocchi, and B. D. Goddard
ANS, 8, 54, 2023

[29] Non-mean-field Vicsek-type models for collective behavior
P. Buttà, B. D. Goddard, T. M. Hodgson, M. Ottobre, and K. J. Painter
M3AS, 32(14), 2763-2816, 2022

[28] Pseudospectral methods and iterative solvers for optimization problems from multiscale particle dynamics
M. Aduamoah, B. D. Goddard, J. W. Pearson, and J. C. Roden
BIT Num. Math., 62, 1703–1743, 2022

[27] Noisy bounded confidence models for opinion dynamics: the effect of boundary conditions on phase transitions
B. D. Goddard, B. Gooding, G. A. Pavliotis, and H. Short
IMA J. Appl. Math., 87(1) 80–110, 2022

[26] Modelling inelastic granular media using Dynamical Density Functional Theory
B. D. Goddard, T. D. Hurst, and R. Occone
J. Stat. Phys., 183(1) 1–22, 2021

[25] A derivation of the Liouville equation for hard particle dynamics with non-conservative interactions
B. D. Goddard, T. D. Hurst, and M. Wilkinson
Proc. Roy. Soc. Edin. A, 151(3), 1040–1074, 2021

[24] Nascent transcript folding plays a major role in determining RNA polymerase elongation rates
T. W. Turowski, E. Petfalski, B. D. Goddard, S. L. French, A. Helwak, and D. Tollervey
Mol. Cell, 79, 1–16, 2020

[23] The singular hydrodynamic interactions between two spheres in Stokes flow
B. D. Goddard, R. D. Mills-Williams, and J. Sun
Phys. Fluids, 32, 062001, 2020

[22] Nonadiabatic transitions in multiple dimensions
V. Betz, B. D. Goddard, and T. Hurst
SIAM J. Sci. Comp., 41, (5), B1011-B1033, 2019

[21] Automated calculation of higher order partial differential equation constrained derivative information
J. R. Maddison, D. N. Goldberg and B. D. Goddard
SIAM J. Sci. Comp., 41, (5), C417-C445, 2019

[20] The vicinity of an equilibrium three-phase contact line using density functional theory: Density profiles normal to the fluid interface
A. Nold, L . G . MacDowell, D. N. Sibley, B. D. Goddard and S. Kalliadasis
Mol. Phys., 116, (17), 2239-2243, 2018

[19] General framework for fluctuating dynamic density functional theory
M. A. Duran-Olivencia, P. Yatsyshin, B. D. Goddard and S. Kalliadasis
New. J. Phys., 19, 123022, 2017

[18] Nonequilibrium molecular dynamics simulations of nanoconfined fluids at solid-liquid interfaces
M. Morciano, M. Fasano, A. Nold, C. Braga, P. Yatsyshin, D. N. Sibley, B. D. Goddard, E. Chiavazzo, P. Asinari, and S. Kalliadasis
J. Chem. Phys., 146, 244507, 2017

[17] Pseudospectral methods for density functional theory in bounded and unbounded domains
A. Nold, B. D. Goddard, P. Yatsyshin, N. Savva and S. Kalliadasis
J. Comp. Phys., 334, 639-664, 2017

[16] Dynamical density functional theory with hydrodynamic interactions in confined geometries
B. D. Goddard, A. Nold and S. Kalliadasis
J. Chem. Phys., 145, 214106, 2017

[15] Dynamical density functional theory for orientable colloids including inertia and hydrodynamic interactions
M. A. Duran-Olivencia, B. D. Goddard and S. Kalliadasis
J. Stat. Phys., 164, (4), 785-809, 2016

[14] Wave packet dynamics in the optimal superadiabatic approximation
V. Betz, B. D. Goddard and U. Manthe
J. Chem. Phys., 144, 224109, 2016

[13] Nanoscale fluid structure of liquid-solid-vapour contact lines for a wide range of contact angles
A. Nold, D. N. Sibley, B. D. Goddard and S. Kalliadasis
Math. Model. Nat. Phenom., 19, (4), 111-124, 2015

[12] Fluid structure in the immediate vicinity of an equilibrium three-phase contact line and assessment of disjoining pressure models using density functional theory
A. Nold, D. N. Sibley, B. D. Goddard and S. Kalliadasis
Phys. Fluids, 26, 72001, 2014

[11] Multi-species dynamical density functional theory
B. D. Goddard, A. Nold and S. Kalliadasis
J. Chem. Phys., 138, 144904, 2013

[10] Unification of dynamic density functional theory for colloidal fluids to include inertia and hydrodynamic interactions: Derivation and numerical experiments
B. D. Goddard, A. Nold, N. Savva and S. Kalliadasis
J. Phys.: Condens. Matter, 25, 35101, 2013

[9] General dynamical density functional theory for classical fluids
B. D. Goddard, A. Nold, N.Savva, G. A. Pavliotis and S. Kalliadasis
Phys. Rev. Lett., 109, 120603, 2012

[8] The overdamped limit of dynamic density functional theory: Rigorous results
B. D. Goddard, G. A. Pavliotis and S. Kalliadasis
SIAM Multiscale Model. Sim., 10, (2), 633-663, 2012

[7] Nonadiabatic transitions through tilted avoided crossings
V. Betz and B. D. Goddard
SIAM J. Sci. Comp., 33, (5), 2247-2276, 2011

[6] Atomic structure via highly charged ions and their exact quantum states
G. Friesecke and B. D. Goddard
Phys. Rev. A, 81, 32516, 2010

[5] Accurate prediction of non-adiabatic transitions through avoided crossings
V. Betz and B. D. Goddard
Phys. Rev. Lett., 103, 213001, 2009

[4] Superadiabatic transitions in quantum molecular dynamics
V. Betz, B. D. Goddard and S. Teufel
P. Roy. Soc. A-Math. Phy., 485, 3553-3580, 2009

[3] Asymptotics-based CI models for atoms: Properties, exact solution of a minimal model for Li to Ne, and application to atomic spectra
G. Friesecke and B. D. Goddard
SIAM Multiscale Model. Sim., 7, (4), 1876-1897, 2009

[2] Explicit large nuclear charge limit of electronic ground states for Li, Be, B, C, N, O, F, Ne and basic aspects of the periodic table
G. Friesecke and B. D. Goddard
SIAM J. Math. Anal., 41, (2), 631-664, 2009

[1] Rate of convergence of the configuration interaction model for the helium ground state
B. D. Goddard
SIAM J. Math. Anal., 41, (1), 77-116, 2009