Talks and Workshops

2026

• June 2026 CECAM workshop on the Atomic Simulation Environment: Integration into Wider Community Projects, Mainz
• June 2026 Seminar in mini-symposium, Department of Physics, Chalmers University of Technology
• May 2026 AI-assisted coding, assessment design and the agentic AI era, AI & Data Analytics Network, Oxford Brookes [slides]
• April 2026 Effective Agentic Coding for Scientific Computing, Predictive Modelling Discussion Group, Warwick [slides]
• April 2026 From Project to Platform Webinar, Physical Sciences Data Infrastructure [YouTube recording]
• January 2026 ProbAI Seminar, Warwick and online
• January 2026 CECAM workshop on A roadmap for an atomistic machine learning software ecosystem, Lausanne

2025

• November 2025 CECAM workshop on Uncertainty quantification in atomistic modeling: From uncertainty-aware density functional theory to machine learning, Lausanne
• November 2025 IMX colloquium, Materials Science Institute, EPFL, Lausanne
• November 2025 CoMPASs: computational materials science and mathematics at the particle and atomistic scales, International Centre for Mathematical Sciences, Edinburgh
• July 2025 QSP-UK Knowledge Exchange Workshop, Warwick
• March 2025 Workshop on Mathematical Methods in Quantum Chemistry, Mathematisches Forschungsinstitut Oberwolfach, Germany.
• November 2024 Seminar in CAMD, DTU Physics, Denmark.
• November 2024 Materials Science Colloquium at University of Stuttgart, Germany.

2024

• September 2024 Keynote lecture in Symposium A at MMM11, Prague.
• September 2024 GAP-(M)ACE users and developers meeting, Berlin.
• June 2024 eSSENCE-EMMC Meeting 2024, Uppsala/Online
• April 2024 Machine Learning Forcefields workshop, IMSI, Chicago
• January 2024 Talk at NOMAD industry workshop, Online

2023

• October 2023 Webinar for Materials Square, Online
• July 2023 livMatS Colloquium at University of Freiburg, Germany
• May 2023 MSM Seminar at University of Groningen, Netherlands
• April 2023 Scale Bridging Materials Modelling at Extreme Computational Scales, IPAM, Los Angeles [YouTube recording]
• March 2023 Fundamentals of Fracture symposium at DPG Spring Meeting, Dresden

2022

• November 2022 Atomic Cluster Expansion seminar series (online)
• October 2022 Keynote presentation at MMM10 (Baltimore, USA)
• June 2022 CECAM workshop on Error control in first-principles modelling (Lausanne)
• January 2022 Data Management for Materials Researchers, Royce Institute (Online)

2021

• December 2021 Two invited talks in symposia DS02 – Advanced Atomistic Algorithms in Materials Science and DS03 – Combining Machine Learning with Simulations for Materials Modelling at MRS Fall Meeting 2021.
• November 2021 High-throughput workflows for materials science with the Atomic Simulation Environment and Fireworks (Copenhagen)
• October 2021 Constructing Digital Twins in Tribology – Web Seminar Series on Tribology (WeSST) (online, recording available on YouTube)
• September 2021 FAIR Data Infrastructure for Materials Science (hybrid online/Louvain-la-Neuve, recording available on YouTube)
• September 2021 CECAM/Psi-k flagship workshop on New Horizons in Nucleation (online)
• July 2021 Keynote talk at De Beers Diamond Research Conference (online)
• June 2021 Talk about QUIP code at CCP5++ Software Seminar Series (online event; recording available)
• June 2021 Invited talk at CECAM workshop on AI for Materials Science (online event)
• March 2021 Lecture at CECAM School on Simulation Workflows in Materials Modelling (SWiMM 2021)
• March 2021 Workflows for Atomistic Simulation, ICAMS, Bochum, Germany (online event, recording available)
• February 2021 Seminar at Research Training Group on Tailored Scale-Bridging Approaches to Computational Nanoscience (CompNano), Karlsruhe Institute of Technology (online event)

2020

• April 2010 Seminar to EPSRC NetworkPlus in Digitalised Surface Manufacturing (online event)
• March 2020 Talk at Visitor’s Programme of FRASCAL training network, Erlangen, Germany

2019

• August 2019 Invited talk at ISAM4-2019 conference, Erlangen, Germany
• July 2019 Invited talk at CPMD Meeting 2019, Lausanne, Switzerland
• June 2019 Seminar and visit at SRMP lab, CEA Saclay, Paris, France
• May 2019 Invited talk at Computational mathematics for model reduction and predictive modelling in molecular and complex systems, Bernoulli Centre/CECAM, Lausanne
• January 2019 Invited talk at workshop Forcefields: Status, Challenges and Vision, STFC Daresbury
• January 2019 Invited talk at USACM Conference on UQ in Materials Modeling, Johns Hopkins, Baltimore

2018

• July 2018 Organiser of CECAM workshop Emergence of surface and interface structure from friction, fracture and plasticity with G. Moras (Fraunhofer IWM), L. Pastewka (Karlsruhe) and A. De Vita (King’s College London)
• June 2018 Materials Modelling seminar, Loughborough
• May 2018 Invited talk at 3rd Multiscale Modelling Conference, Manchester
• April 2018 Invited talk at joint ICTP-IAEA School and Workshop on Fundamental Methods for Atomic, Molecular and Materials Properties in Plasma Environments, ICTP, Trieste
• March 2018 Invited talk in Fundamentals of Fracture symposium at DPG Spring Meeting 2018, Berlin
  

2017

• October 2017 Chemistry Research Colloquium, Reading
• September 2017 Lecture at NOMAD summer school, Berlin
• September 2017 Invited talk at inauguration of Predictive Simulation Centre, Grenoble
• August 2017 Invited talk at KTN Uncertainty Quantification and Management for Industry, CFMS, Bristol
• August 2017 Tutorial on CASTEP Python interface at CASTEP Advanced Developer's workshop, Oxford
• July 2017 Invited talk at Density Functional Theory and Beyond: Analysis and Computation, Warwick
• May 2017 Contributed talk at International workshop on machine learning and data analytics in advanced metals processing, Manchester
• April 2017 Keynote at KTN event on Compound Semiconductor Simulation and Modelling, Birmingham
• March 2017 Invited talk at Modelling and Simulation of Superalloys workshop, ICAMS, Bochum
• March 2017 Invited talk at Computational Molecular Sciences 2017, Warwick
• January 2017 Seminar at Molecular and Analytical Sciences CDT, Warwick
• January 2017 Seminar in Solid Mechanics and Materials Engineering group, Oxford

2016

• December 2016 Talk on new Interdisciplinary Computing module at Institute for Advanced Teaching and Learning Showcase, Warwick
• October 2016 Symposium co-organiser, session chair and oral contributor at Multiscale Materials Modelling 2016, Dijon
• September 2016 Co-organiser of IAS Vacation School on Molecular and Materials Modelling, Warwick
• September 2016 Invited talk at E-CAM Centre of Excellence workshop on State of the Art in Electronic Structure, Cheshire
• July 2016 Participation in Innovate UK Uncertainty Quantification and Management SIG study group, Liverpool
• July 2016 Invited speaker at CCP9 Young Researcher’s meeting, York
  
• July 2016 Invited soirée at Thomas Young Centre, University College London
  
• July 2016 Talk at technical workshop of the Micro and Nano Flows for Engineering programme grant, Warwick
• June 2016 Contributed oral presentation at ISAM4 symposium as part of MSMF8 conference, Brno
• June 2016 Co-organiser of discussion session on Multiscale Methods for Improved Interatomic Potentials, CSC, Warwick
• June 2016 Co-organiser of symposium From Materials' Data to Materials Insight and contributed oral presentation at PASC16, Lausanne.
• June 2016 Seminar at Fraunhofer Institute for Mechanics of Materials IWM, Freiburg, Germany.
• April 2016 Invited talk at mid-term review of EPSRC Hydrogen in Metals (HEmS) programme grant, Oxford
• Mar 2016 Invited talk in symposium Verification, Validation and Uncertainty Quantification in Multiscale Materials Simulation, MRS Spring Meeting, Phoenix, AZ, USA
• Mar 2016 Contributed talk in symposium Mechanics and Tribology at the Nanoscale, MRS Spring Meeting, Phoenix, AZ, USA
• Mar 2016 Contributed talk at Recent Appointees in Materials Modelling (RAMM2016), QMUL, London
• Feb 2016 Seminar at Centre for Nuclear Engineering, Department of Materials, Imperial College
• Jan 2016 ASTS seminar at Dassault Systèmes BIOVIA, Cambridge
• Jan 2016 Moderator and speaker at CECAM workshop Towards a Common Format for Computational Materials Science Data, Lausanne
• Jan 2016 Seminar at materials modelling group, AWE, Aldermaston
• Jan 2016 Tutor at joint MCC-UKCP-EPCC workshop on ab initio periodic codes, Daresbury Laboratory

2015

• Dec 2015 Attended Predictive Multiscale Materials Modelling, Cambridge (Poster)
  
• Nov 2015 Tutorial on Interoperability between scientific computing codes with Python at Centre for Scientific Computing, Warwick (IPython notebook slides)
• Nov 2015 Seminar at Mathematics, Modelling and Simulation group, National Physical Laboratory
• Oct 2015 Attended kick-off meeting for NOMAD Centre of Excellence, Berlin
• Oct 2015 Seminar in Engineering Alloys group at Imperial College, London
• Sept 2015 Session chair at Hydrogen Embrittlement of Steels (HEmS) grant event for early career researchers and industrial partners, Oxford
• Sept 2015 Contributed talk at EUROMAT 2015, Warsaw
• Sept 2015 Contributed oral presentation at Recent Appointees in Materials Science (RAMS 2015), Warwick
• Sept 2015 Co-organiser of CECAM workshop Chemical and Structural Transformations in Materials under Mechanical Load with Lars Pastewka, Gianpietro Moras, Alessandro De Vita and Mike Payne, Lausanne
• Aug 2015 Invited talk at CASTEP Advanced Developer Workshop, Oxford
• July 2015 Invited talk at workshop on Next Generation Quantum-based Molecular Dynamics, Bremen
• July 2015 Co-organiser of Materials GRP Modelling Theme workshop on Theory and Simulation of Materials at Warwick with Nicholas Hine, Peter Brommer and David Quigley
• July 2015 Invited seminar at the Interdisciplinary Centre for Advanced Materials Simulations (ICAMS), Ruhr-Universit�t Bochum
• June 2015 Session chair at KTN event on Uncertainty Quantification and Management in High Value Manufacturing, London
• June 2015 Talk with Gabor Csanyi at CECAM workshop Future Technologies in Automated Atomistic Calculations, Lausanne
• May 2015 Invited talk at CECAM workshop From Many-Body Hamiltonians to Machine Learning and Back, Berlin
• Apr 2015 Monte Carlo Methods Discussion, Centre for Scientific Computing, University of Warwick
• Mar 2015 Fortran/Python interfacing at the CASTEP code developers retreat, Bath
• Mar 2015 Warwick Centre for Predictive Modelling seminar, University of Warwick
• Feb 2015 Physics Theory Group seminar, University of Warwick
• Jan 2015 Centre for Scientific Computing seminar, University of Warwick

2014

• Nov 2014 Contributed oral talk Molecular dynamics with on-the-fly machine learning of quantum mechanical forces at workshop Force Fields: From Atoms to Materials, Forschungszentrum Juelich, Germany.
• Oct 2014 Contributed oral talk Multiscale modelling of materials chemomechanics: from catastrophic brittle fracture to stress corrosion cracking at Multiscale Materials Modelling conference (MMM 2014), Berkeley, California, USA.
• Sept 2014 Invited talk at startup meeting for Hydrogen in Metals (HEmS) programme grant, Department of Engineering Science, Oxford.
• July 2014 Contributed oral talk at ECF20, 20th European Conference on Fracture, Trondheim, in session on Atomistic aspects of fracture and fatigue.
• June 2014 Poster and contributed oral presentation at workshop Multiscale Computational Methods in Materials Modelling, Edinburgh
• May 2014 Invited talk at workshop on Materials Challenges in Devices for Fuel Solar Production and Employment, Trieste
• Mar 2014 Guest lecturer at intercollegiate course on Theoretical Treatments of Nanosystems for fourth year students from colleges

  across London.

2013

• Dec 2013 Invited seminar in the Materials Science department of the Engineering of Advanced Materials (EAM) Cluster of Excellence at Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU).

• Oct 2013 Invited seminar in the Surface, Microstructure and Fracture (SMF) group, Cavendish Laboratory, University of Cambridge.

• May 2013 Organiser of CECAM workshop Materials Chemomechanics at the atomic scale. Co-organisers: Dr Gianpietro Moras (Fraunhofer IWM, Freiburg), Prof. Ralf Drautz (ICAMS, Bochum) and Prof. A. De Vita.

• Mar 2013 Oral presentation at DPG Spring Meeting Regensburg in the Fundamentals of Fracture symposium.
• Feb 2013 Hands-on workshop on Adaptive QM/MM MD of Fracture in Silicon at ICTP, Trieste.

2012

• Dec 2012 Physics at the Nanoscale seminar at King's College London.

• Nov 2012 Invited talk at ADGLASS workshop Atomistic modelling for Industrial Product Development, Bremen.

• Sept 2012 Invited talk at CECAM workshop on Validation and Verification in Electronic-Structure calculations, Lausanne. (Slides)

• June 2012 Talk at the Electronic Structure Discussion Group (ESDG), in the TCM group, Cavendish Laboratory, University of Cambridge.

2011

• May 2011 Organiser of CECAM workshop Brittle Fracture at the Atomic Scale. Co-organisers: Prof. A. De Vita, Prof. Peter Gumbsch and Dr Gianpietro Moras (both of Fraunhofer IWM, Freiburg and KIT, Karlsruhe).

• May 2011 Hands-on tutorial at Workshop on Advanced Oxide Interfaces, ICTP, Trieste. Molecular Dynamics Simulation of Fracture in Quartz. (Workshop material)

2006-2010

• Sept 2010 Contributed talk at Psi-k 2010 Conference, Berlin (Abstract).

• May 2010 Invited seminar at Fraunhofer IWM, Freiburg.

• Nov 2008 Seminar on Version Control Software, TCM Group, Cavendish Laboratory (Slides)

• Sept 2007 CCP2007 Conference on Computational Physics, Universite Libre de Bruxelles. Low Speed Instabilities in the Brittle Fracture of Silicon (Abstract, p. 76)

• July 2006 Invited talk at CECAM workshop Hybrid Atomistic Methods for Materials and Biological Systems, Lyon (Abstract).