Heterogeneous Systems » HetSys Cohort Newsfeed

Half-day workshop on the continuum modelling of peat on Tuesday 9 June

Sarah Jarratt — Wed, 03 Jun 2026 10:32:18 GMT

Dear HetSys students,

A brief reminder that Thomasina Ball and I are running a half-day workshop on the continuum modelling of peat on Tuesday 9 June. If you'd like to join us, you'd be very welcome: see below for some links to further details.

Mathematical Modelling for Peat’s Sake, 9 June
Full details, including speakers, schedule, and registration information, are available here:
/fac/sci/maths/research/miraw/days/mathematical-modelling-for-peat-sake/

Registration form:
/fac/sci/maths/research/miraw/days/mathematical-modelling-for-peat-sake/registration/

Best wishes,

Tom Hudson

Mathematics and Policy Day 24th June

Jin Kang — Mon, 01 Jun 2026 09:00:53 GMT

Dear Students,

The Mathematics for Real-World Systems Centre for Doctoral Training is organising a one-day “Mathematics and Policy” event on Wednesday, 24th of June in the Zeeman Building, and we’d like to extend an invite to you to join us.

The aim of the day is to expose students and staff to career trajectories where mathematical scientists are closely involved in policy decisions at state and international levels. The day should be of interest to students who wish to increase understanding of policy impact and to those considering their career choices.

Speakers include the President of the Institute of Mathematics and its Applications, a Policy Officer at the EU AI Office, a Home Office Operational Research Analyst, as well as Warwick staff in senior advisory roles.

Registration for the event is required.

Please see below and the attached poster, for more information.

Mathematics and Policy Day Schedule

11.00am-12.30pm (MS.03 Zeeman Building)

Dr Heather Tewkesbury,

President of the Institute of Mathematics and its Applications

Dr Alvaro Cabrejas-Egea,

Policy Officer at the EU AI Office

Lunch

1.30pm-3.45pm (B3.03 Zeeman Building)

Dr Martine Barons

Warwick Applied Statistics & Risk Unit

Dr Peter Dawson,

Operational Research Service at the Home Office

Profs Keeling, Rock & Tildesley SBIDER Epidemiologists, Warwick Mathematics Institute

Coffee, cakes and discussions

Places are limited, so if you wish to attend, and to assist us with catering arrangements, please register at: warwick.ac.uk/fac/sci/mathsys/mathsys_summer_school_2026_registration/

Should you have any question, please email complexity@warwick.ac.uk and Magnus.Richardson@warwick.ac.uk.

Attachments (follow link to download)

mathsyspolicyday_24th-june-2026.pdf (339 KB)

Materials for Energy Summer School, Paris FR June-July

Sarah Jarratt — Fri, 08 May 2026 09:15:39 GMT

Materials for Energy Summer School, Paris FR

A three-week summer school dedicated to different classes of energy materials, held in a pleasant environment in the Paris area, close to the Vexin and Impressionist sites. The program includes excursions and ample time for discussion. Interested students (PhD, Master’s) and researchers are invited to register and select their preferred week(s).

Quantum Electronics 22-27 June

Catalytic Functionalities 29 June-3 July

Photovoltaics - 6-10 July

For more details or to book visit https://materials4energy.wordpress.com/

European Study Group with Industry (ESGI195), taking place 20-24 July 2026 at the University of Exeter.

Sarah Jarratt — Fri, 08 May 2026 09:08:45 GMT

Radu Cimpeanu (Maths) has asked that we bring this event to your attention. short deadline for registration which closes on 10 May.

The University of Exeter is pleased to announce that registration is now open for the 195th European Study Group with Industry (ESGI195), taking place 20-24 July 2026 at the University of Exeter. Event website: https://mathematics.exeter.ac.uk/esgi/

There is a generous budget of fully funded places, covering accommodation and subsistence for the duration of the event. Please register your interest by completing the application form by the 10 May 2026.

ESGI is an intensive, week-long workshop that brings together researchers in mathematics, statistics and computer science with partners from industry, government, charities, and the public sector to collaboratively tackle open challenges. Over five days, participants form focus groups, brainstorm approaches, develop models, and work directly with challenge owners to deliver mathematical and computational solutions. ESGI is an excellent opportunity for participants to apply their skills in new contexts, build collaborations, and network with peers and sector leaders.

To date we have confirmed challenges on:

development of accessible software tools for vision-impaired mathematicians,
graph theory analysis of floor plans in planning applications,
adding functionality to automated theorem provers,
modelling carbon capture from large-scale active regreening initiatives, and
monitoring donkey welfare in the global south.

We warmly welcome researchers at all career stages, including PhD students, postdocs, early-career researchers, senior academics, and independent scientists.

Many thanks and warm regards,

The ESGI 195 Organising & Scientific Committee

____________________

Dr. Radu Cimpeanu (he/him)
Associate Professor (Reader) in Applied Mathematics
Warwick Mathematics Institute

Computational Chemistry Seminar - Beyond Drug Discovery: The Nanotechnology Molecular Optimization (NMO) Benchmark

Sarah Jarratt — Thu, 07 May 2026 06:40:32 GMT

Speaker: Matthias Blaschke
Affiliation: Institute of Physics and Center for Advanced Analytics and Predictive Sciences, University of Augsburg, D-86159, Augsburg, Germany

Title: Beyond Drug Discovery: The Nanotechnology Molecular Optimization (NMO) Benchmark

Date & Time: 12^th May 2026 (Tuesday) 13:00-14:00
Venue: Ramphal Building - R2.41

Please find the abstract attached for further details.

We hope you can join us for what promises to be an interesting and insightful presentation.

Best regards,
Danjo

Seminar: Mathematical Modelling of Peat.

Sarah Jarratt — Tue, 24 Mar 2026 12:38:53 GMT

On Tuesday 9 June, we are holding a workshop at the Warwick Mathematics Institute, ��ӰƬ on the Mathematical Modelling of Peat. The focus will be on discussion and generating new collaboration in this area between those working in Applied Maths, Life Sciences, Engineering and beyond, with a series of short talks and lots of time for discussion.

If you are interested in attending, please find further information and a registration form on the workshop webpage.

Tom Hudson and Thomasina Ball (co-organisers)

Dr Thomas Hudson (He/Him)

Associate Professor

Office: D2.03 | Zeeman Building | ��ӰƬ

Web: tinyurl.com/thudso

Osborne Reynolds Day 2026

Sarah Jarratt — Wed, 18 Mar 2026 13:55:57 GMT

Friday 19 June, 9.30am – 4.30pm, University of Manchester

Staff and students are invited to Osborne Reynolds Day 2026, a national event celebrating doctoral research in fluid dynamics. Free to attend, the event features keynote lectures, panel discussions, networking opportunities, and a highly respected competition open to current fluid mechanics PhD students and graduates whose thesis was approved after 1 June 2025. Entries close on Friday 10 April 2026 (5pm).

Cash prizes will be available for top presentations, as well as nominations for the ERCOFTAC da Vinci competition. You will also receive national visibility for your research and feedback from leading experts in the field. For competition guidance, please contact Dr Fatemeh Shahbazi, Assistant Professor in Mechanical Engineering.

https://www.osbornereynolds.org

Computational Chemistry Seminar - Wednesday 18 March, 3pm - 4pm, Chemistry C521. All invited.

Sarah Jarratt — Wed, 18 Mar 2026 11:40:35 GMT

Spin-Dependent NGWFs in ONETEP: Better Basis, Better Magnetism

Dr. Miguel Escobar Azor, Department of Chemistry, ��ӰƬ

Spin-polarized materials play an important role in areas ranging from magnetic nanostructures to two-dimensional van der Waals magnets. Accurate first-principles simulations of such systems remain challenging within linear-scaling density functional theory (LS-DFT), where the two spin channels are typically constrained to share a common variational basis, a limitation that can reduce accuracy for systems with strong spin polarization or magnetic order.

This talk presents a spin-dependent extension of the non-orthogonal generalized Wannier function (NGWF) formalism within the ONETEP LS-DFT code, in which each spin channel is described by its own independently optimized set of localized orbitals. This provides a more flexible and physically faithful representation of the spin-polarized electronic density, without significantly increasing computational cost.

The method is applied to a diverse set of systems: localized magnetic defects in hexagonal boron nitride, Fe(III) transition-metal complexes, bilayer CrI3, and both bulk and nanocluster ferromagnetic cobalt. In each case, spin-dependent NGWFs yield lower total energies, improved localization of spin density, and correct predictions of magnetic ground states, including cases where the shared-basis approach fails entirely. These improvements are particularly pronounced when combined with DFT+U and DFT+U+J Hubbard corrections.

Developments of Crystal Structure Prediction for Multicomponent Molecular Crystals

Sarah Jarratt — Mon, 09 Mar 2026 10:00:26 GMT

Multicomponent molecular crystals are of significant commercial and industrial importance. In the pharmaceutical industry, for example, salts, solvates, and cocrystals are widely used to modify the physical properties of APIs, such as solubility, shelf life, and mechanical properties. Despite this, crystal structure prediction (CSP) is infrequently applied to materials with more than one molecule per asymmetric unit. This is owed to the massive computational burden of multicomponent CSP. CSP requires thorough exploration of crystal potential energy landscapes, but each independent molecule contributes its own degrees of freedom, leading to an explosion of configurational possibilities. The talk will present the development of methods to improve efficiency of CSP for multicomponent systems [1]. We show that we can perform high throughput CSP of combinations of small organic molecules and evaluate convex hulls to assess how accurately we can predict the formation and structure of stoichiometric cocrystals and solvates.

[1] https://chemrxiv.org/doi/pdf/10.26434/chemrxiv-2025-l4ftw

STEM Outreach Event for Primary School children (Year 6, aged 10-11 years old)

Sarah Jarratt — Thu, 05 Mar 2026 11:24:48 GMT

Please see below for details of the Outreach Event, taking place next week. If you would like to attend then please do let Jin Kang know by the end of tomorrow, 6th March.

STEM Outreach Event for Primary School children (Year 6, aged 10-11 years old)

11th of March from 1pm - 3pm

We will use the Moire Models and Annealing in Metals Activities that Livia showcased yesterday: /fac/sci/hetsys/outreach/annealing/ and /fac/sci/hetsys/outreach/moire/ no preparation required from you.

The event will take place at the Junction, central campus - opposite FAB building.

We will have 2 stands available and Jin will bring all the resources required.

UoW Doctoral College Festival of Postgraduate Research - 12 June 2026

Sarah Jarratt — Wed, 18 Feb 2026 13:42:14 GMT

This event run by the Doctoral College is to showcase and celebrate research at Warwick. To submit for the showcase or register your interest in the event click here Festival of Postgraduate Research

National PhD Conference - 8-9 April Manchester

Sarah Jarratt — Wed, 18 Feb 2026 13:39:48 GMT

The Henry Royce Institute is running a National PhD Conference on the 8-9 April 2026 at The University of Manchester.

It will bring together 1st and 2nd year PhD students from the UK’s materials science community. It offers a great chance to network and learn from fellow students across the entire discipline as well as join in workshop sessions on materials policy, metrology, sustainability, outreach, AI and Materials 4.0, commercialisation, and future careers in both academia and industry.

The conference is free to register. Students selected to speak at the event can have accommodation and travel supported by Royce.