Monday 3rd Sept


PROGRAMME:   DAY ONE - Monday 3September 2018

9.00 - 9.30

Registration and Coffee                                                           The Materials Innovation Factory

9.30 - 9.45

Welcome & Intro to the LRC                                                                Muspratt Lecture Theatre

Professor Andrew I Cooper

Director,  Leverhulme Research Centre for Functional Materials Design, the University of Liverpool

Session 1: Grand Challenges                                          Chaired by:  Professor Matthew Rosseinsky

9.45 - 10.45

Keynote: Cosmic Strings, the Higgs Boson, Dark Matter and Room-temperature Superconductivity: Grand Challenges in Materials Chemistry

Professor Nicola Spaldin  FRS

Professor for Materials Theory, Department of Materials, ETH Zurich


10.45 – 11.15

Reticular Chemistry: MOF Design Strategies to Applications

Professor Mohamed Eddaoudi

Chemical Science Director, Advanced Membranes and Porous Materials Research Center,  King Abdullah University of Science and Technology


11.15 – 11.35

Coffee break

Muspratt Lecture Theatre

11.35 – 12.05


Data-Driven Materials' Properties Maps: Methods and Infrastructure

Dr Luca Ghiringhelli

Group leader in the Theory Department Fritz Haber Institute of the Max Planck Society

12.05 – 12.35

Finding the needle in the haystack: Materials discovery through high-throughput ab initio computing and data mining

Prof Geoffroy Hautier

Assistant Professor,  Institute of Condensed Matter and Nanosciences (IMCN), Université catholique de Louvain



12.35 – 14.00


Lunch and Poster Session



The Materials Innovation Factory

Session 2: Algorithms                                                                                   Chaired by: Professor Paul Spirakis

14.00 – 14.30

The Nanoporous Materials Genome in Action: Discovering Materials for Energy

Professor Berend Smit

Professor of Chemical Engineering, School of Basic Sciences, École polytechnique fédérale de Lausanne


14.30 – 15.00

Atomic-Scale Insights into Energy Materials (Batteries Included)

Professor Saiful Islam

Professor of Materials Chemistry, Department of Chemistry, University of Bath


15.00 – 15.30

Navigating chemical-compound space with structure maps

Dr Thomas Hammerschmidt 

Research Group Leader, Interdisciplinary Centre for Advanced Materials Simulation (ICAMS), Ruhr University Bochum


15.30 – 15.50

Coffee Break

Muspratt Lecture Theatre

15.50 – 16.20

Centrality measures based in influence spread

Professor Maria Jose Serna

Professor of Computer Science, Department of Computer Science, Universitat Politetchnika Barcelona (UPC)


16.20 – 17.20

Keynote: The Metaphysics of Chemical Reactivity

Professor Leroy Cronin

Regius Chair of Chemistry,  School of Chemistry,  University of Glasgow



PROGRAMME: DAY TWO - Tuesday 4 September 2018




Session 3:  Integration of Theory and Experiments                       Muspratt Lecture Theatre

Chaired by:  Professor Paul Chalker

9.30 - 10.30

Keynote: Computational Materials Discovery: Past, Present, and Future

Professor Artem R. Oganov MAE

Professor of Russian Academy of Sciences Center for Electrochemical Energy Storage, Skolkovo Institute of Science and Technology

10.30 – 11.00

Knowledge-driven approaches for discovery, design and development of functional organic molecular crystals

Dr Angeles Pulido    

Research and Application Scientist, ​​The Cambridge Crystallographic Data Centre (CCDC)


11.00 – 11.30

Numerical Simulation and Machine Learning in Virtual Materials Design

Dr Jan Hamaekers

Head of Department Virtual Material Design, Fraunhofer Institute for Algorithms and Scientific Computing SCAI, The University of Bonn


11.30 – 11.50

Coffee Break

Muspratt Lecture Theatre


11.50 – 12. 20


Structure-function relationships for molecular materials applied to solar energy conversion and energy storage

Professor Jenny Nelson FRS

Professor of Physics, Department of Physics, Faculty of Natural Sciences, Imperial College London


12.20 – 12.50

Amoebots and Beyond: Algorithmic Models for Programmable Matter

Prof. Dr. Christian Scheideler

Head - Professor Theory of Distributed Systems, Paderborn University



12.50 – 14.00



The Materials Innovation Factory

Session 4:  High Throughput Methods                                                   Chaired by: Dr Paul Ellwood

14.00 – 15.00

Keynote: Future Lab – Challenges, Concepts and Realizations

Prof. Dr.-Ing. habil. Kerstin Thurow

Professor for Automation / Life Science Automation, Center for Life Science Automation, University Rostock


15.00 – 15.30

Computational Discovery of Molecular Materials

Dr Kim Jelfs

Lecturer & 2018 Harrison-Meldola Memorial Prize Winner, Faculty of Natural Sciences, Imperial College London


15.30 – 15.40

Dial-a-Molecule – Opportunities for Collaboration

Ms Gill Smith

Network Co-ordinator, Dial-a-Molecule


15.40 – 16.00

Coffee Break

Muspratt Lecture Theatre

16.00 – 16.30

Democratizing Synthesis

Prof Martin Burke

Professor of Chemistry, University of Illinois at Urbana-Champaign


16.30 – 17.30

Closing Keynote: ‘Knotting matters’

Professor David Leigh FRS FRSE FRSC MAE

Royal Society Research Professor & Sir Samuel Hall Chair of Chemistry, School of Chemistry, The University of Manchester


Poster Prize Presentation & Close


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