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WCPM hosts regular seminars where we invite speakers working both in fundamental methodology and on applications of predictive modelling and UQ.

From October 2016, the seminars are on Mondays, 1pm and joint with the Centre for Scientific Computing, with a focus on all aspects of research involving significant computational resource. Venues are alternating between MAS2.05/06 (Materials and Analytical Sciences) and D2.02 (Engineering), and a sandwich lunch is available from 12:45pm.

If you would like to be kept informed of upcoming seminars, please do sign up here or send an email to wcpm-seminar-join at listserv dot csv dot warwick dot ac dot uk.

Past presentations are available below.

Upcoming Seminars

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Mon, Jun 5, '17
1pm - 2pm
WCPM@Lunch Seminar: Nathan DeYonker (Memphis)
D2.02 (Engineering)

The role of transition metals in the structure and reactivity of astrochemicals

The field of astrochemistry is growing rapidly. There are yearly, impactful discoveries of new gas phase molecules in the interstellar medium, and a growing interest experimentally and theoretically on the surface interactions of molecules with interstellar ices and grains. Most research in the field of astrochemistry has focused on the structure and reactivity of organic molecules. Deciphering the electronic structure of small gas phase inorganic radicals is extraordinarily challenging. These challenges downplay the roles that these transient molecules may play in the composition of ices and grains, and the catalysis of molecules implicated in origin-of-life chemical processes. The part that computational chemistry is playing in guiding observational and terrestrial detection of new gas phase inorganic astrochemicals will be discussed. Specifically, the interplay between theory and experiment in the discovery of the first organometallic astrochemical, iron monocyanide (FeCN), and surprising aspects of the electronic structure and spectroscopy of titanium dicarbide (TiC2) will be featured.

Mon, Jun 12, '17
1pm - 2pm
MIRaW/WCPM seminar: Colm Connaughton (Mathematics)

Oscillatory kinetics in cluster-cluster aggregation

I will discuss the mean field kinetics of irreversible coagulation in the presence of a source of monomers and a sink at large cluster sizes which removes large particles from the system. These kinetics are decribed by the Smoluchowski coagulation equation supplemented with source and sink terms. In common with many driven dissipative systems with conservative interactions, one expects this system to reach a stationary state at large times characterised by a constant flux of mass in the space of cluster sizes from the small-scale source to the large scale sink. While this is indeed the case for many systems, I will present here a class of systems in which this stationary state is dynamically unstable. The consequence of this instability is that the long-time kinetics are oscillatory in time. This oscillatory behaviour is caused by the fact that mass is transferred through the system in pulses rather than via a stationary current in such a way that the mass flux is constant on average. The implications of this unusual behaviour the non-equilibrium kinetics of other systems will be discussed.

Mon, Jun 19, '17
1pm - 2pm
WCPM@Lunch Seminar: Mike Croucher (Sheffield)
D2.02 (Engineering)

Is your Research Software Correct?

Mon, Jun 26, '17
1pm - 1:30pm
CSC@Lunch Seminar: Andre Jesus (Engineering)
MAS2.05/2.06 (Materials and Analytical Science)

Modular Bayesian uncertainty assessment for structural health monitoring

1:30pm - 2pm
CSC@Lunch Seminar: Sam Foster (Engineering)
MAS2.05/2.06 (Materials and Analytical Science)

Quantum transport simulations for understanding the thermoelectric effect in nanocomposites

Past Seminars (WCPM & CSC)

Date Speaker Presentation
22 May 2017

Ettore BarbieriEttore Barbieri

Engineering and Materials Science, Queen Mary University of London

Cracking me softly – the mechanics of hyperelastic Kirigami structures
15 May 2017

Nicholas BristoweNicholas Bristowe

Physical Sciences, University of Kent

First principles design of new multiferroic materials
13 March 2017

Orkun SoyerOrkun Soyer

Warwick Life Sciences

Design principles of cellular systems from evolutionary and systems dynamics perspectives

Abstract(PDF Document)

6 March 2017

Livia Bartok PartayLivia Bartok-Partay

Reading Chemistry

Computational thermodynamics: how to calculate phase diagrams without the fuss

Abstract(PDF Document) Slides(PDF Document)

27 February 2017

pastewka.jpgLars Pastewka

Karlsruhe Institute of Technology

Contact and cavitation: Computer models for tribological processes

Abstract(PDF Document) Slides(PDF Document)

20 February 2017

Jasmine Desmond

Jasmine Desmond

Warwick Physics

The dynamics and flexibility of biomedically important proteins: a combined computational/experimental approach to tackle antimicrobial resistance (AMR)
13 February 2017

Ed Brambley

Ed Brambley

Warwick Maths / WMG

Computational and mathematical modelling of acoustic linears in aircraft engines
6 February 2017

James Hetherington James Hetherington

Head of Research Software Development, UCL

Computational Science As A Service: A new institutional model for research software engineering
30 January 2017

cwoods Christopher Woods

University of Bristol

What is good research software, how can it be engineered, and is it deliverable within the constraints of academic projects?
23 January 2017

sfahmy.jpgSuhaib Fahmy

Connected Systems Research Group, School of Engineering, Warwick

Exploring the Potential for FPGA Scientific Computing Research at Warwick
16 January 2017

James ElliotJames Elliot
Department of Materials Science, University of Cambridge

Interfacial barriers to thermal transport in carbon nanomaterials and polymer-nanotube composites: a molecular modelling study
5 December 2016

Christopher RobertsonChristopher Robertson
Department of Chemistry, University of Warwick

Diabatization strategies for non-adiabatic dynamics: photodissociation of acetylene and NO/Au3 scattering
Abstract (PDF Document)
28 November 2016

Steve FitzgeraldAli Raeini
Department of Earth Science & Engineering, Imperial College, London

Generalized network modelling of two-phase flow
Abstract (PDF Document), Slides (PDF Document)
21 November 2016

David PackwooodDavid Packwood
Maxeler Technologies, London

Scientific Computing on Dataflow Engines
Abstract (PDF Document), Slides (PDF Document)
14 November 2016

Steve FitzgeraldSteve Fitzgerald
School of Mathematics, University of Leeds

Stochastic effects in mesoscale simulations
Abstract (PDF Document), Slides (PDF Document)
07 November 2016

Mikhail PoluektovMikhail Poluektov
International Institute for Nanocomposites Manufacturing, WMG, University of Warwick

Coupling atomistic and continuum modelling of magnetism
Abstract (PDF Document), Slides (PDF Document)
31 October 2016

Paola CarbonePaola Carbone
Chemical Engineering and Analytical Science, University of Manchester

Multiscale modelling of polymer aggregates
Abstract (PDF Document), Slides (PDF Document)
24 October 2016

wcpm_seminar_pictures_david_quigley.pngDavid Quigley
Director, Centre and RTP for Scientific Computing, University of Warwick

Scientific Computing at Warwick: Current facilities and developments
Abstract (PDF Document), Slides (PDF Document)
17 October 2016 Tom HudsonTom Hudson
Mathematics Institute, University of Warwick
Screw dislocation mobility: linking Monte Carlo models to Discrete Dislocation Dynamics
Abstract (PDF Document), Slides (PDF Document)

Past Seminars 2015/2016

Date Speaker Presentation
31st May 2016 wcpm_seminar_picture_benjamin_graham.jpgBen Graham
Department of Statistics, University of Warwick
Spatially Sparse Convolutional Neural networks
Abstract (PDF), Slides (PDF)
24th May 2016 wcpm_seminar_picture_duncan_lockerby.jpgwcpm_seminar_picture_david_stephenson.jpgDuncan Lockerby/David Stephenson
School of Engineering, University of Warwick
Accelerating a multiscale continuum-particle fluid dynamics model
with on-the-fly machine learning
Abstract (PDF), Slides (PDF): Part1 (DL) Part2 (DS)
17th May 2016
wcpm_seminar_picture_gareth_conduit.jpgGareth Conduit
Department of Physics, University of Cambridge
Materials discovery with artificial intelligence
Abstract (PDF), Slides (PDF)
10th May 2016
wcpm_seminar_picture_torgyn_shaikhina.jpgTorgyn Shaikhina
School of Engineering, University of Warwick
Machine Learning for predictive modelling based on small biomedical and clinical data
Abstract (PDF), Slides (PDF)
3rd May 2016
Department of Statistics, University of Warwick
Bayesian inference and model selection for stochastic
epidemics and other coupled hidden Markov models
(with special attention to epidemics of
Escherichia coli O157:H7 in cattle)
Abstract (PDF), Slides (PDF)
26th Apr 2016
wcpm_seminar_picture_ariel_lozano.jpgAriel Lozano
Basque Centre for Applied Mathematics
Bond-selective chemical reactivity from first principles:
methane on metallic surfaces
Abstract (PDF), Slides (PDF), Video
8th Mar 2016
wcpm_seminar_picture_judith_rommel.jpgJudith Rommel
Department of Chemistry, University of Cambridge
Predictive Multi-scale Modelling - an Interdisciplinary
Perspective and the Case of Density Embedding Methods
1st Mar 2016
Department of Physics, University of Warwick

Quantum Engineering for electrons and spins
16th Feb 2016
wcpm_seminar_picture_igor_khovanov.pngIgor Khovanov
School of Engineering, University of Warwick

Dynamics of Large Fluctuations: from Chaotic Attractors to Ion Channels
Abstract (PDF), Slides (PDF), Video

9th Feb 2016
Department of Computer Science,
University of Warwick

Image clustering based on camera fingerprints
Abstract (PDF), Slides(PPT), Video

2nd Feb 2016 Scott HabershonScott Habershon
Department of Chemistry,
University of Warwick
Progress and perils in predictive computational catalysis
Abstract (PDF)
26th Jan 2016
wcpm_seminar_picture_charles_gadd.jpgCharles Gadd
Warwick Centre for Predictive Modelling,
University of Warwick
Uncertainty Quantification with Gaussian Process Latent

Variable Models
Abstract (PDF)

19th Jan 2016
Warwick Centre for Predictive Modelling,
University of Warwick
Uncertainty Quantification Using Deep Gaussian Processes
and Variational Bayesian inference
8th Dec 2015
School of Mathematical Sciences, University of Nottingham
Novel stochastic thermostats for rigid body dynamics
26th Nov 2015

Technische Universität München

Predictive Coarse-Graining
Abstract (PDF), Slides (PDF), Video
17th Nov 2015
Department of Physics, University of Cambridge
Computational Materials Discovery meets Experiment
Abstract (PDF)
10th Nov 2015

wcpm_seminar_picture_savvas_triantafyllou.jpgSavvas Triantafyllou
Faculty of Engineering, University of Nottingham

Towards a multiscale framework for robust simulation
of inelastic dynamic processes
Abstract (PDF), Slides (PDF), Video
3rd Nov 2015

wcpm_seminar_picture_keith_refson.jpgKeith Refson
Department of Physics, Royal Holloway

Reliable Knowledge: How far can we trust electronic structure simulations?
Abstract (PDF)
27th Oct 2015

wcpm_seminar_pictures_manuel_aldegunde.jpgManuel Aldegunde
Warwick Centre for Predictive Modelling,
University of Warwick

Exchange-Correlation Functional with Uncertainty

Quantification Capabilities for Density Functional Theory
Abstract (PDF), Slides (PDF)

20th Oct 2015

wcpm_seminar_pictures_vahid_niasar.jpgVahid Niasar
School of Chemical Engineering and Analytical Science, University of Manchester

Pore-scale analysis of dynamics of two-phase flow

in porous media
Abstract (PDF), Slides (PDF), Video

13th Oct 2015

wcpm_seminar_pictures_stela_makri.jpgStela Makri
Warwick Centre for Predictive Modelling,
University of Warwick

Dimensionality Reduction Methods in Predictive Modelling
Abstract (PDF), Slides (PDF)

13th Oct 2015

wcpm_seminar_pictures_louis_ellam.jpgLouis Ellam
Warwick Centre for Predictive Modelling,
University of Warwick

Approximate Bayesian Inference for Machine Learning
Abstract (PDF), Slides (PDF)

6th Oct 2015

wcpm_seminar_picture_matteo_icardi.jpgMatteo Icardi
Mathematics Institute, University of Warwick

On the predictive capabilities of multiphase Darcy flow
Abstract (PDF), Slides (PDF)

Past Seminars 2014/2015

Date Speaker Presentation
25th Jun 2015

wcpm_seminar_pictures_nicholas_hine.pngNicholas Hine
Department of Physics, University of Warwick

Excited state calculations and theoretical spectroscopy of complex
nanomaterials using Linear-Scaling Density Functional Theory
Abstract (PDF), Slides (PDF)
18th Jun 2015

wcpm_seminar_pictures_andrew_stuart.jpgAndrew Stuart
Mathematics Institute, University of Warwick

Probabilistic Numerical Methods for Deterministic Differential Equations
Abstract (PDF), Slides (PDF)
11th Jun 2015

wcpm_seminar_pictures_gabor_csanyi.jpgGábor Csányi
Engineering Laboratory, University of Cambridge

Applying machine learning to quantum mechanics
Abstract (PDF), Slides (PDF)
4th Jun 2015

wcpm_seminar_pictures_shiwei_lan.jpgShiwei Lan
Department of Statistics, University of Warwick

Sampling constrained probability distributions using Spherical Augmentation
Abstract (PDF), Slides (PDF)
28th May 2015

wcpm_seminar_pictures_lukasz_figiel.jpgŁukasz Figiel
International Institute for Nanocomposites
Manufacturing/WMG, University of Warwick

Computational modelling for performance improvement
of polymer nanocomposites
Abstract (PDF), Slides (PDF)
15th May 2015

wcpm_seminar_pictures_peter_brommer.jpgPeter Brommer
School of Engineering, University of Warwick

Uncertainties in classical effective potentials:
sources and quantification strategies
Abstract (PDF), Slides (PDF)
7th May 2015

wcpm_seminar_pictures_mark_rodger.jpgMark Rodger
Department of Chemistry & Centre
for Scientific Computing, University of Warwick

Predictive Modelling: a view from the atomic level
Abstract (PDF), Slides (PDF, PPTX)
30th Apr 2015

wcpm_seminar_pictures_david_quigley.pngDavid Quigley
Department of Physics, University of Warwick

Modelling crystal nucleation and growth
Abstract (PDF), Slides (PDF, PPTX)
23rd Apr 2015

wcpm_seminar_pictures_claudia_schillings.jpgClaudia Schillings
Mathematics Institute, University of Warwick

Scaling Limits in Computational Bayesian Inversion
Abstract (PDF), Slides (PDF)
12th Mar 2015

wcpm_seminar_pictures_julie_staunton.jpgJulie Staunton
Department of Physics, University of Warwick

Density functional theory and slowly varying fluctuations at finite
temperature to describe alloy and magnetic phase diagrams
Abstract (PDF), Slides (PDF)
5th Mar 2015

wcpm_seminar_pictures_james_kermode.jpgJames Kermode
School of Engineering, University of Warwick

Molecular Dynamics with on-the-fly Machine Learning of Quantum
Mechanical Forces
Abstract (PDF), Slides (PDF), WCPM Science Highlight

26th Feb 2015

wcpm_seminar_pictures_mark_girolami.jpgMark Girolami
Department of Statistics, University of Warwick

Differential Geometric MCMC Methods
Abstract (PDF), Slides (PDF)

19th Feb 2015

wcpm_seminar_pictures_akeel_shah.jpgAkeel Shah
School of Engineering, University of Warwick

Efficient emulation of high-dimensional outputs using manifold
learning: Theory and applications
Abstract (PDF), Slides (PDF)

12th Feb 2015

wcpm_seminar_pictures_neophytos_neophytou.jpgNeophytos Neophytou
School of Engineering, University of Warwick

Electronic, thermal, and thermoelectric transport in nanostructures
Abstract (PDF), Slides (PDF)

5th Feb 2015

wcpm_seminar_pictures_aretha_teckentrup.jpgAretha Teckentrup
Mathematics Institute, University of Warwick

Quasi- and Multilevel Monte Carlo Methods for Bayesian Inverse
Problems in Subsurface Flow
Abstract (PDF), Slides (PDF)

29th Jan 2015

wcpm_seminar_pictures_charo_del_genio.jpgCharo del Genio
Mathematics Institute, University of Warwick

Constructing and sampling graphs with specified joint-degree matrix
Abstract (PDF), Slides, 1st half (PDF)

22nd Jan 2015

wcpm_seminar_pictures_alfonso_jaramillo.jpgAlfonso Jaramillo
School of Life Sciences, University of Warwick

Predictive Modelling of Riboregulatory Circuits to Re-engineer Living Cells
Abstract (PDF), Slides (PDF)

15th Jan 2015

wcpm_seminar_pictures_tim_sullivan.pngTim Sullivan
Mathematics Institute, University of Warwick

Consistency, Robustness, and Brittleness of Bayesian Inference
Abstract (PDF), Slides (PDF)

8th Jan 2015 Jesper KristensenJesper Kristensen
Applied and Engineering Physics, Cornell University, Ithaca NY

Uncertainty Quantfication with Surrogate Models in Alloy Modelling
Abstract (PDF), Slides (PDF)

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