Presentations

Posters (Selected)

NATO Advanced Research Workshop 586/84: Quantum Chemistry - the Challenge of Transition Metals and Coordination Chemistry
Strasbourg, France (September 15-20, 1985)
Theoretical Analysis of Bonding in pi-Acceptor and pi-Donor Bridged Transition Metal Clusters

Gordon Research Conference: Solid State Chemistry
Plymouth State College, New Hampshire, USA (July 1988)
Super-dense Carbon: Supercubane or Analogue of gamma-Si?

Faraday Discussion 106: Solid State Chemistry - New Opportunities from Computer Simulations
University College, London (30 June - 2 July, 1997)
Ab Initio Calculation of 2H Quadrupole Coupling Constants in Molecular Crystals: Application to Polymorphs of Oxalic Acid Dihydrate

Gordon Research Conference: Clusters, Nanocrystals and Nanostructures
Plymouth State College, New Hampshire, USA (27 July - 1 August 1997)
Modelling Metal Clusters with Many-body Potentials

Gordon Research Conference: Molecular and Ionic Clusters (MIC2000)
Toulouse, France (April 16-21, 2000)
Structure Optimization of MgO Clusters Using a Genetic Algorithm

Accuracy in Powder Diffraction III
NIST, Gaithersburg, Maryland, U.S.A. (April 22-25, 2001)
Structure Solution from Powder Diffraction Data Using Genetic Algorithms

CrystEngComm Discussion 1: Innovation in Crystal Engineering
University of Bristol (29 June - 1 July, 2002)
Genetic Algorithms for Structure Determination of Molecular Solids from Powder Diffraction Data

Cluster Surface Interaction Workshop (CSI2014)
Villa Cagnola, Gazzada Schianno, Varese, Italy (June 2-4, 2014)
PdnAg(4-n) and PdnPt(4-n) Clusters on MgO(100): Density Functional Surface Genetic Algorithm


Lectures at Conferences, Workshops, etc.

Brioni International Conferences on Interdisciplinary Topics in Chemistry and Physics III: Radiation-Matter Interactions
Brioni, Croatia (September 10-14, 1990)
13/9/90 The Metal-Metal Quadruple Bond: Gas Phase and Thin Film PES Studies

Southern Spectroscopy Meeting
University of Reading
31/3/93 Applications of Empirical Potential Energy Functions

ESF Network "Metal Clusters" Workshop: Theoretical Aspects of Cluster Chemistry
Isle of Thorns, Sussex (16-19 July 1994)
18/7/94 Clusters with pi-Donor Ligands
19/7/94 Clusters in Infinite Solids and the Relevance of Band Theory

European Physical Society Industrial Workshop: Nanoscale Science and Technology
University of Birmingham
15/4/96 Modelling of Iron Clusters using a Global Empirical Potential

Symposium: New Frontiers in Transition-Metal Computational Chemistry
University of Warwick
23/5/96 Modelling of Iron Clusters using a Global Empirical Potential

Royal Society Discussion Meeting: The Metal-Non Metal Transition in Macroscopic and Microscopic Systems
The Royal Society, London (5-6 March 1997)
6/3/97 The Development of Metallic Behaviour in Clusters

CCP6 Workshop: Fashioning a Model: Optimization Methods in Chemical Physics
University of Durham (25-27 March 1998)
26/3/98 Crystal Structure Solution as an Optimization Problem

CCP5 Annual Meeting 1998: Making and Breaking Potentials
University of Edinburgh (7-9 September 1998)
8/9/98 Cluster Geometry Optimization Using Genetic Algorithms

Inaugural Meeting of University of Birmingham Centre for Chemical Physics: Gas-Phase and Surface Dynamics
University of Birmingham (2-3 October 1998)
3/10/98 Cluster Geometry Optimization Using Genetic Algorithms

RSC Solid State Chemistry Group: Annual Christmas Meeting 1998
University of Surrey (21-22 December 1998)
22/12/98 A Genetic Algorithm for Structure Solution from Powder Diffraction Data

RSC Theoretical Chemistry Group: Theoretical Chemistry Days No. 7
University College, London
8/12/99 Evolving Better Clusters: Genetic Algorithms for Geometry Optimization

RSC Theoretical Chemistry Group Summer School 2000: Theory and Simulation of Clusters and Nanoparticles
University of Birmingham (29 August-6 September 2000)
29/8/00 Introduction to Clusters
30/8/00 Potentials for Modelling Clusters
1/9/00 Genetic Algorithms for Global Optimization

RSC Theoretical Chemistry Group & Molecular Beams and Dynamics Group: Stereochemistry and Energy Landscapes
University of Warwick (26-27 March 2001)
26/3/01 Genetic Algorithms for Cluster Geometry Optimization

Molecular Dynamics Simulation Symposium
Nanoscale Physics Research Laboratory, University of Birmingham
28/3/01 Molecular Dynamics Simulation of Gold Cluster-Surface Interactions

Telluride Summer Research Center Workshop: Complex Landscapes in Many Dimensions
Telluride, Colorado, USA (15-29 July 2001)
18/7/01 Hierarchical Methods in Simulation
27/7/01 Structure Solution from Powder Diffraction Data using Genetic Algorithms

EvoCOP2002 (2nd European Workshop on Evolutionary Computation in Combinatorial Optimization) - part of EuroGP2002 (5th European Conference on Genetic Programming)
Kinsale, Ireland (3-5 April 2002)
4/4/02 Application of Genetic Algorithms in Nanoscience: Cluster Geometry Optimization

II International Meeting on Physics
University of Sonora, Hermosillo, Mexico (25-27 November 2002)
25/11/02 (Plenary Lecture) Evolving Better Clusters: Genetic Algorithms for Geometry Optimization

Nanoscale Science Symposium
Nanoscale Physics Research Laboratory, University of Birmingham
9/7/03 Theoretical Studies of the Geometries and Segregation Properties of Nanoalloys

Theoretical and Experimental Inorganic Chemistry (A Meeting to Celebrate the 60th Birthday of Professor D. Michael P. Mingos, FRS)
St. Edmund Hall, Oxford
21/8/04Theoretical Studies of Bimetallic Nanoalloys

2004 International Workshop on Nature Inspired Computation and Applications (IWNICA'2004)
University of Science and Technology of China, Hefei, China (25-29 October 2004)
28/10/04 (Invited Lecture) Getting Back to Nature: The Application of Biologically-Inspired Computation to the Study of Protein Folding
28/10/04 (Invited Lecture) Evolving Better Nanoparticles: Genetic Algorithms for Optimising Cluster Geometries

8th SIAM Conference on Optimization (SIAM-OP5)
Stockholm, Sweden (15-19 May 2005)
19/5/05 (Invited Lecture) Optimization of the Geometrical and Permutational Isomers of Nanoalloy Clusters using Genetic Algorithms

Telluride Science Research Center Workshop: Energy Landscapes - Dynamics and Optimization
Telluride, Colorado, USA (24 July - 6 August 2005)
27/7/05 Nature-inspired Computation and Nanoalloy Optimization

Cercia Workshop on Computational Intelligence in Cheminformatics
University of Birmingham, UK (2 March 2006)
2/3/06 (Invited Lecture) Computational Nanoscience: From Clusters to Proteins via Nature-inspired Computation

Natural Computing Applications Forum: Applications of Evolutionary Computing
University of Birmingham, UK (14-15 June 2006)
15/6/06 (Invited Lecture) Computational Nanoscience: From Clusters to Proteins via Nature-inspired Computation

Workshop: Global Optimisation Techniques Applied to the Prediction of Structures
University College London, UK (6-7 July 2006)
6/7/06 (Invited Lecture) Visualisation and Complexity Analysis of Multi-dimensional Energy Landscapes: Relevance to Global Optimisation

NSCCS User Meeting
Imperial College London, UK (29 March 2007)
29/3/07 (Invited Lecture) Combining Empirical Potentials and DFT to Study Structural Motifs and Segregation in Nanoalloys

5th International Symposium on Theory of Atomic and Molecular Clusters (TAMCV)
Richmond, Virginia, USA (13-17 May 2007)
16/5/07 (Invited Seed Lecture at Roundtable Discussion) Visualization and Complexity Analysis of Multidimensional Energy Landscapes for Protein Folding and Cluster Rearrangement

International Workshop on Energy Landscapes and Finite Time Thermodynamics
Petritoli, Marche, Italy (15-28 July 2007)
20/7/07 (Invited Lecture) Visualization and Complexity Analysis of Multidimensional Energy Landscapes for Protein Folding and Cluster Rearrangement

European Materials Research Society (E-MRS) Fall Meeting 2007
Warsaw, Poland (16-21 September 2007)
16/9/07 (Invited Contribution to Workshop: "Genetic Algorithms for Beginners") Genetic Algorithms for Cluster Optimization: General Aspects
19/9/07 (Invited Lecture in Symposium G: "Genetic Algorithms in Materials Science and Engineering") Design and Application of Genetic Algorithms for Structural Optimization of Nanoalloys

III International Physics Congress
University of Sonora, Hermosillo, Mexico (10-12 October 2007)
11/10/07 (Invited Lecture) Investigating the Structures and Chemical Ordering of Bimetallic Nanoalloys

Global Optimisation Workshop 2007 (GOW 2007)
Imperial College London, UK (15-17 December 2007)
16/12/07 (Invited Lecture) Global Optimisation of Nanoalloy Clusters Using a Hybrid Genetic Algorithm



2008

Bridging the Gap - Multi-Disciplinary Optimization and Data Mining at Birmingham (Opening Event)
University of Birmingham, UK (6 June 2008)
6/6/08 (Invited Lecture) Global Optimisation Strategies Applied to the Structure Determination of Nanoalloy Clusters

CECAM Workshop - Energy Landscapes of Solids: from (Hypothetical) Topologies to Material Properties
Ecole Polytechnique Federale de Lausanne, Switzerland (22-25 July 2008)
24/7/08 (Invited Lecture) Visualising, Analysing and Exploring Cluster Energy Landscapes

International Workshop on Computational Alloys
Grand Hotel Golf, Tirrenia, Pisa, Italy (21-24 September 2008)
23/9/08 (Invited Lecture) Theoretical Studies of Palladium-Gold Nanoclusters

CCP5-Portfolio Partnership Workshop: Structure Prediction of Clusters
University College London (10-11 September 2009)
11/9/08 (Invited Lecture) Prediciting the Geometrical Structures and Chemical Ordering of Bimetallic Nanoalloys



2009

Sixth International Topical Meeting on Nanostructured materials and Nanotechnology (NANOTECH 2009)
San Carlos, Nuevo Guaymas, Sonora, Mexico (17-19 September 2009)
17/9/09 (Invited Lecture) Investigating the Structures, Chemical Ordering and Chemisorption Properties of Bimetallic Nanoalloys



2010

The Cluster Surface Interactions (CSI) Workshop
Stratford-upon-Avon (5-8 July 2010)
6/7/10 (Invited Lecture) STEM Simulations of Metal Clusters and Nanoalloys: A Kinematic Model Coupled with Structural Searches

CECAM Workshop - Nanoscale Alloys: From Experiment and Theory to Quantitative Modelling
Ecole Polytechnique Federale de Lausanne, Switzerland (13-16 September 2010)
14/9/10 (Invited Lecture) The Evolution of Structure and Chemical Ordering of Cu-Ag Nanoparticles with Size and Composition



2011

Second International Conference: Quantitative Biology and Bioinformatics in Modern Medicine
Conway Institute, University College Dublin, Ireland (7-8 February 2011)
7/2/11 (Invited Lecture) Visualisation and Complexity Analysis of Energy Landscapes for Protein Folding

Bridging the Gap Workshop 7 - Dynamic Optimisation in an Uncertain World: Challenges and State-of-the-Art
University of Birmingham (24 February 2011)
(Invited Lecture) Optimisation and Landscape Analysis for Studying Protein Folding

COST Action MP0903: NANOALLOY (Nanoalloys as advanced materials: from structure to properties and applications) - Joint Working Group Meeting
University of Barcelona, Spain (14-16 April 2011)
16/4/11 (Lecture) Theoretical Study of the Structures of Pd-Au Nanoparticles on MgO(100)

University of Nottingham HPC User Conference
University of Nottingham (5-6 July 2011)
5/7/11 (Invited Lecture) Global Optimisation and Energy Landscape Exploration for Nanoparticles and Proteins

The Science City Research Alliance Materials Modelling and Property Prediction Day
Think Tank, Millenium Point, Birmingham (12 July 2011)
(Invited Lecture) Nanoalloys: Structures, Chemical Ordering and Properties

COST Action MP0903: NANOALLOY (Nanoalloys as advanced materials: from structure to properties and applications) - Action Conference and MC Meeting
Limerick, Ireland (12-14 October 2011)
13/10/11 (Lecture) Global Optimisation of Nanoalloys at the Density Functional Level

9th Annual Symposium on Clusters and Nanoparticles
Margrain Vineyard, Martinborough, New Zealand (22-23 November 2011)
22/11/11 (Invited Plenary Lecture) Nanoalloys: Two Metals Can be Better Than One at the Nanoscale

5th Asian Pacific Conference of Theoretical and Computational Chemistry (APCTCC5)
Rotorua, New Zealand (9-13 December 2011)
11/12/11 (Invited Keynote Lecture) Global Optimisation of Nanoalloys Using Density Functional Theory



2012

International Symposium on Small Particles and Inorganic Clusters XVI (ISSPIC XVI)
Leuven, Belgium (8-13 July 2012)
12/7/12 (Hot Topic Talk) A Genetic Algorithm-Density Functional Theory Approach for Global Optimisation of Nanoalloys

ESF-LFUI Research Conference: Energy Landscapes
Universitätszentrum Obergurgl, Austria (16-21 July 2012)
19/7/12 (Invited Lecture) Energy Landscape Mapping and Global Optimisation for Metal Clusters and Nanoalloys

CECAM Workshop: Modelling Realistic Inorganic Nanostructures - Bridging the Gap Between Theory and Experiment
ZCAM, Zaragoza, Spain (5-7 September 2012)
6/9/12 (Invited Lecture) Combining Theory and Experiment to Determine the Structures of Gas Phase Clusters

Molecular Modelling and High Performance Computing Showcase
Department of Chemistry, University of Nottingham (19 September 2012)
(Lecture) Using HPC to Study Metal Clusters and Bimetallic Nanoalloys

Discussion Meeting on Thermodynamics of Alloys (TOFA 2012)
Pula, Croatia (23-28 September 2012)
28/9/12 (Invited Plenary Lecture) Simulating the Structures and Chemical Ordering of Nanoalloys

COST Action MP0903: NANOALLOY (Nanoalloys as advanced materials: from structure to properties and applications) - Action Conference and MC Meeting
Antalya, Turkey (19-21 November 2012)
19/11/12 (Lecture) Combining Theory and Experiment to Determine the Structures of Gas Phase Cationic Ag-Au Clusters



2013

Joint Programme Grant Meeting: Self Assembly of Bioinspired Materials
Fitzwilliam College, Cambridge (16-17 April 2013)
17/4/13 (Lecture) DFT Global Optimisation and Landscape Exploration for Coinage Metal Nanoalloy Clusters

Telluride Science Research Center Workshop: Energy Landscapes 2013
Telluride, Colorado, USA (14-19 July 2013)
15/7/13 (Lecture) Direct DFT Global Optimization Using a Genetic Algorithm: Comparing Theory and Experiment

Joint Workshop of COST Actions MP1005 & MP0903: "Nanoalloys and Biomaterials in Biomedicine and Stem Cell Research"
Santa Margherita Ligure, Italy (7-8 October 2013)
7/10/13 (Lecture) An Introduction to Nanoalloys: From Theory to Applications

China-Europe International Workshop on Alloy Nanoparticles (CEIWN2013)
Beijing University of Chemical Technology, Beijing, China (17-21 November 2013)
20/11/13 (Invited Lecture) Combining Theory and Experiment to Determine the Structures of Gas Phase Metal Clusters

International Symposium on Atomic Cluster Catalysis
Tsinghua University, Beijing, China (21-22 November 2013)
22/11/13 (Invited Lecture) Combining Theory and Experiment to Determine the Structures of Gas Phase Metal Clusters

4th Annual BEAR PGR Conference
University of Birmingham (16 December 2013)
(Invited Keynote Lecture) Computational Nanoscience on BlueBEAR

Workshop on Global Optimisation
Imperial College London (19 December 2013)
(Invited Plenary Lecture) Combining GA-DFT Global Optimisation and Experiment to Determine the Structures of Gas Phase Metal Clusters



2014

Meeting on Metal and Metal-containing Clusters
Inorganic Chemistry Laboratory, University of Oxford (1 April 2014)
(Invited Lecture) Combining Theory and Experiment to Determine the Structures of Gas Phase Metal Clusters

BEAR VIEW Launch
University of Birmingham (8 July 2014)
(Invited Lecture) Use of BEAR VIEW to Aid Research in Computational Chemistry

Energy Landscapes: From Single Molecules to Soft Matter
University of Durham (15-21 August 2014)
18/8/14 (Invited Lecture) Exploring the Energy Landscapes and Self-assembly of Cyclic Peptides



2015

Clusters: From Trimers to Nanoparticles, International Conference of Computational Methods in Science and Engineering (ICCMSE2015)
Athens, Greece (20-23 March 2015)
21/3/15 (Invited Lecture) Combining Theory and Experiment to Determine the Structures of Sub-nanometre Metal Clusters

SNM15 Workshop: Theory of Metal Atoms, Clusters and Nanoparticles Stabilized by Organic Matter
Aalto University, Helsinki, Finland (10-12 June 2015)
11/6/15 (Invited Lecture) Combining Theory and Experiment to Determine the Structures of Sub-nanometre Metal Clusters

British Association for Crystal Growth, 46th Annual BACG Conference
Queen Mary, University London (21-23 June 2015)
23/6/15 (Plenary Lecture) DFT-based Global Optimisation of Free and Supported Metal Clusters

CECAM Workshop: Modeling Metal-based Nanoparticles: Toward Realistic Environments
CECAM-FR-GSO, CEMES, Toulouse, France (29 June - 1 July 2015)
1/7/15 (Invited Lecture) Computational Studies of the Interactions of Metal Clusters with Oxide Surfaces



2016

International Symposium on Clusters, Cluster-Assemblies and Nanomaterials (ISCAN2016)
IISER TVM, Trivandrum, Kerala, India (9-12 March 2016)
10/3/16 (Invited Lecture) Combining Theory and Experiment to Determine the Structures of Free and Supported Sub-nanometre Metal Clusters

Cluster Surface Interaction Workshop 2016
Argonne National Laboratory, IL, USA (31 May - 3 June 2016)
1/6/16 (Invited Lecture) Interactions of Nanoalloys with Oxide Supports and Adsorbates

ELAND 2016: Energy Landscapes - Theory and Applications
Porquerolles, France (27 June - 3 July 2016)
2/7/16 (Invited Lecture) Energy Landscapes of Nano-hydrated Ions and their Relevance to the Hofmeister Series

CECAM Workshop - Structure Prediction of Nanoclusters from Global Optimization Techniques: Computational Strategies and Connection to Experiments
Pau, France (5-8 July 2016)
6/7/16 (Invited Lecture) Combining DFT-based Global Optimisation with Experimental Measurements to Determine the Structures of Free and Supported Sub-nanometre Clusters

ISSPIC XVIII - International Symposium on Small Particles and Inorganic Clusters
Jyvaskyla, Finland (14-19 August 2016)
15/8/16 (Invited Lecture) Structures, Energetics, and Reactivities of Free and Supported Metal Clusters: A Computational Study

Characterisation of Metal Particle Workshop
Glenshiel, Limpopo, South Africa (6-7 October 2016)
7/10/16 (Invited Lecture) Computational Study of the Interactions of Nanoalloys with Oxide Supports and Adsorbates: Au-Rh/TiO2

8th International Conference on Multiscale Modelling of Materials: K. Multiscale modelling of nanoalloys and metal-based nanohybrids
Dijon, France (9-14 October 2016)
11/10/16 (Lecture) Computational Study of the Interactions of Nanoalloys with Oxide Supports and Adsorbates: Au-Rh/TiO2




Research Seminars

22/3/88 Department of Chemistry, University of Waterloo, Canada
Tensor Surface Harmonic Theory - Introduction and Application to Boron and Carbon Clusters

1989 Chemistry Department, University of Arizona, Tucson, AZ, USA
A Chemist's View of Bonding in Solids

1990 School of Chemistry and Molecular Sciences, University of Sussex
Super-dense Carbon: Supercubane or Analogue of gamma-Si?

1990 School of Chemistry and Molecular Sciences, University of Sussex
The Metal-Metal Quadruple Bond: Gas Phase and Thin Film PES Studies

8/91 ITQB, Lisbon, Portugal
Potential Energy Functions for Solids and Clusters

21/1/92 Chemistry Department, Brunel University
Potential Energy Functions for Metals and Non-Metals

Shanxi University, China
18/3/92 Potential Energy Functions for Solids and Clusters
19/3/92 Tight Binding Band Theory of Solids

25/3/92 Yuncheng Community College, China
Potential Energy Functions for Solids and Clusters

3/4/92 Chengdu Institute of Science and Technology, China
Potential Energy Functions for Solids and Clusters

9/4/92 Institute of Theoretical Chemistry, Jilin University, China
Potential Energy Functions for Solids and Clusters

Department of Chemistry, University of Rennes, France
3/9/92 Deriving Potential Energy Functions for Solids
4/9/92 Optimising Cluster Geometries

1993 School of Chemistry and Molecular Sciences, University of Sussex
Potential Energy Functions for Solids and Clusters

16/11/93 Theory Group, Daresbury Laboratory
Potential Energy Functions for Solids and Clusters

9/3/94 Computational Chemistry Group, University of Reading
Potential Energy Functions for Solids and Clusters

9/1/96 Solid State Discussion Group, School of Chemistry, University of Birmingham
In Search of Global Potentials for the Simulation of Clusters and Condensed Matter

19/1/96 Nanoscale Physics Research Laboratory, University of Birmingham
Global Empirical Potentials for Modelling Clusters and Condensed Matter

13/6/96 Nano-Science Simulation Group, University of Greenwich
In Search of Global Potentials for Modelling Materials

14/1/97 Institut für Anorganische Chemie, Universität Karlsruhe, Germany
Global Potentials for Modelling Materials

15/1/97 Fachgebeit Physikalische Chemie, Philips-Universität Marburg, Germany
Global Potentials for Modelling Materials

17/1/97 Max-Planck Institut für Festkörperforschung, Stuttgart, Germany
Global Potentials for Modelling Materials

17/2/97 Theoretical Chemistry Group, Oxford University
In Search of Global Potentials for Modelling Materials

10/11/97 Department of Structural Chemistry, Arrhenius Laboratory, Stockholm University, Sweden
Genetic Algorithms for Structure Solution: the Evolution of a New Technique

10/11/97 Department of Inorganic Chemistry, Ångstrøm Laboratory, Uppsala University, Sweden
Towards Global Potentials for Simulating Materials

11/11/97 Department of Physics, Uppsala University, Sweden
The Development of Metallic Behaviour in Clusters

12/11/97 Department of Inorganic Chemistry, University of Lund, Sweden
The Development of Metallic Behaviour in Clusters

14/11/97 Department of Chemistry, Ørsted Laboratory, Copenhagen University, Denmark
Towards Global Potentials for Simulating Materials

JRCAT (Joint Research Centre for Atom Technology), Tsukuba, Japan
3/3/98 The Development of Metallic Behaviour in Clusters
5/3/98 Towards Global Potentials for Simulating Materials

4/3/98 Department of Physics, Science University of Tokyo, Japan
Towards Global Potentials for Simulating Materials

18/5/98 EEBIC Group, School of Computer Science, University of Birmingham
The Use of Genetic Algorithms for Optimizing Geometries of Atomic Clusters

15/7/98 Institute for Nuclear Theory, University of Washington, Seattle, U.S.A.
A Many-body Potential for Modeling Clusters

20/7/98 Pacific Northwest National Laboratory, Richland, Washington, U.S.A.
A Many-body Potential for Modeling Clusters

27/11/98 Department of Chemistry, St. Patrick's College, Maynooth, Ireland
Cluster Geometry Optimization Using Genetic Algorithms

17/2/99 Department of Chemistry, Heriot-Watt University, Edinburgh
Cluster Geometry Optimization Using Genetic Algorithms

23/3/99 Department of Chemistry, University of Milan, Italy
Cluster Geometry Optimization Using Genetic Algorithms

25/3/99 Department of Physical and Inorganic Chemistry, University of Bologna, Italy
Cluster Geometry Optimization Using Genetic Algorithms

29/3/99 Department of Chemistry, University of Florence & C.N.R. Institute for the Study of the Stereochemistry and Energetics of Coordination Compounds, Florence, Italy
Cluster Geometry Optimization Using Genetic Algorithms

9/2/00 Theoretical Chemistry Seminar, University Chemistry Laboratory, Cambridge
Evolving Better Clusters: Genetic Algorithms for Geometry Optimization

9/5/00 Fachgebeit Physikalische Chemie, Philips-Universität Marburg, Germany
Evolving Better Clusters: Genetic Algorithms for Geometry Optimization

2/6/00 Davy Faraday Research Laboratory, The Royal Institution, London
Evolutionary Structural Chemistry: Applications of Genetic Algorithms to Clusters and Powders

5/10/00 School of Chemistry, Physics and Environmental Science, University of Sussex
Evolving Better Clusters: Genetic Algorithms for Geometry Optimization

7/2/01 Department of Materials, Imperial College, London
Evolving Better Clusters: Genetic Algorithms for Geometry Optimization

19/4/01 Chemistry Division, Argonne National Laboratory, Argonne, IL, U.S.A.
Evolving Better Clusters: Genetic Algorithms for Geometry Optimization

20/4/01 Department of Chemistry, University of Chicago, U.S.A.
Evolving Better Clusters: Genetic Algorithms for Geometry Optimization

12/6/01 Institut für Theoretische Chemie, Universität Stuttgart, Germany
Evolving Better Clusters: Genetic Algorithms for Geometry Optimization

3/9/01 Department of Chemistry, University of Helsinki, Finland
Determination of Structures of Molecular Crystals, Including Oligopeptides, Directly from Powder Diffraction Data

18/10/01 Theoretical Chemistry Group, University of Marne-la-Vallée, France
Evolving Better Clusters : a Lamarckian Genetic Algorithm for Geometry Optimization

25/10/01 School of Chemistry, University of Surrey
Evolving Better Clusters: Genetic Algorithms for Geometry Optimization

9/12/02 Physical Chemistry Seminar, School of Chemical Sciences, University of Birmingham
Evolving Better Clusters: Genetic Algorithms for Geometry Optimization

2/9/03 CINECA, Bologna, Italy
Theoretical Studies of the Geometries and Segregation Properties of Nanoalloys

4/9/03 Dipartimento di Fisica, Universita di Genova, Italy
Theoretical Studies of the Geometries and Segregation Properties of Nanoalloys

14/10/04 Nonlinear Science Laboratory, Department of Earth and Planetary Sciences, Kobe University, Japan
Applications of Genetic Algorithms in Computational Nanoscience

15/10/04 Department of Physics, Nara Women's University, Nara, Japan
Applications of Genetic Algorithms in Computational Nanoscience

18/10/04 Department of Theoretical Studies, Institute for Molecular Science, Okazaki, Japan
Applications of Genetic Algorithms in Computational Nanoscience

21/10/04 Department of Chemistry, Tokyo Metropolitan University, Tokyo, Japan
Theoretical Studies of the Geometries and Segregation Properties of Nanoalloys

26/4/05 Department of Chemistry, University of Bath
Evolving Better Nanoparticles: Genetic Algorithms for Optimising Cluster Geometries

11/7/05 Department of Chemistry, University of Bath
Computational Nanoscience: From Clusters to Proteins via Nature-inspired Computation

20/7/05 Physical, Chemical and Biomolecular Sciences Center, Sandia National Laboratories, Albuquerque, New Mexico, USA
Theoretical Studies of Bimetallic Nanoalloys

21/7/05 Department of Chemistry, University of New Mexico, Albuquerque, New Mexico, USA
Computational Nanoscience: From Clusters to Proteins via Nature-inspired Computation

20/10/05 School of Chemistry, Cardiff University
Computational Studies of Nanoalloys; Structures, Stabilities and Segregation in Bimetallic Clusters

1/2/06 Department of Chemistry, University of Sussex
Computational Studies of Nanoalloys; Structures, Stabilities and Segregation in Bimetallic Clusters

19/7/06 Neural Computing Research Group, Aston University
Visualisation and Complexity Analysis of Multi-dimensional Energy Landscapes

8/11/06 School of Chemistry, University of Nottingham
Computational Nanoscience: From Clusters to Proteins via Nature-inspired Computation

8/12/06 Davy Faraday Research Laboratory, The Royal Institution, London
Computational Studies of Nanoalloys; Structures, Stabilities and Segregation in Bimetallic Clusters

11/12/06 Max-Planck Institut für Festkörperforschung, Stuttgart, Germany
Computational Studies of Nanoalloys; Structures, Stabilities and Segregation in Bimetallic Clusters

20/2/07 Department of Physics, Katholieke Universiteit Leuven, Belgium
Computational Studies of Nanoalloys; Structures, Stabilities and Segregation in Bimetallic Clusters

5/4/07 Istituto per i Processi Chimico-Fisici (IPCF) del CNR, Pisa, Italy
Computational Studies of Nanoalloys; Structures, Stabilities and Segregation in Bimetallic Clusters

9/5/07 School of Chemistry, University of Birmingham
Computational Studies of the Structures and Chemical Ordering of Nanoalloys

18/9/07 Institute of Physics, Polish Academy of Science, Warsaw, Poland
Applications of Natural Computing to the Protein Folding Problem

9/10/07 Instituto de Fisica, Universidad Nacional Autonoma de Mexico (UNAM), Mexico City, Mexico
Theoretical Study of the Structures and Chemical Ordering of Nanoalloy Clusters



2008

23/1/08 Kent Business School, University of Kent
Application of Evolutionary Heuristics to the Protein Folding Problem

11/2/08 Laboratoire de Physique des Solides, Universite Paris Sud, Orsay, France
Computational Study of the Structures, Stabilities and Segregation of Bimetallic Nanoalloys

12/2/08 Laboratoire Materiaux et Phenomenes Quantiques, Universite Paris 7 (Diderot), Paris, France
Computational Study of the Structures, Stabilities and Segregation of Bimetallic Nanoalloys

14/2/08 Department of Chemistry, University of Warwick
Computational Study of the Structures, Stabilities and Segregation of Bimetallic Nanoalloys

16/4/08 Computational Modelling Group, Department of Physics, King's College London
Computational Study of the Structures and Chemical Ordering of Nanoalloy Clusters

12/5/08 Artificial Intelligence and Natural Computation Seminar, School of Computer Science, University of Birmingham
Applications of Natural Computing to the Protein Folding Problem

19/5/08 Johnson Matthey Technology Centre, Sonning Common
Studies in Computational Nanoscience

23/10/08 Department of Chemistry and Analytical Sciences, The Open University
Nanoalloys: Computational Studies of Structure, Segregation and Chemisorption

4/12/08 Inaugural Lecture, University of Birmingham
From Clusters to Catalysis: The Evolution of a Computational Nanoscientist



2009

8/5/09 Applied Mathematics Group Seminar, School of Mathematics, University of Birmingham
Global Optimisation of Nanoalloy Clusters Using a Hybrid Genetic Algorithm

11/11/09 Department of Chemistry, University of Sheffield
Computational Studies of Nanoalloy Clusters



2010

16/3/10 Computational Modelling Group Seminar, University of Southampton
Computational Studies of Nanoalloy Clusters

20/5/10 Departamento de Fisica Teorica, Atomica y Optica, Universidad de Valladolid, Spain
Hybrid Empirical Potential-DFT Studies of Nanoalloy Clusters

24/9/10 Materials Science Division, Argonne National Laboratory, Argonne, IL, U.S.A.
Computational Studies of Nanoalloy Clusters

11/10/10 Physical and Theoretical Chemistry, Christian-Albrechts-University, Kiel, Germany
Computational Studies of Nanoalloy Clusters

30/11/10 Max-Planck Institut für Festkörperforschung, Stuttgart, Germany
Nanoalloys: Two Metals Can be Better than One at the Nanoscale

13/12/10 Department of Physics, University of York
Nanoalloys: Two Metals Can be Better than One at the Nanoscale



2011

7/3/11 Theoretical Chemistry Group, Oxford University
Nanoalloys: Two Metals Can be Better than One at the Nanoscale

30/3/11 Department of Materials Science & Engineering, University of Sheffield
Nanoalloys: Two Metals Can be Better than One at the Nanoscale

29/11/11 Department of Physics and Astronomy, Canterbury University, Christchurch, New Zealand
Simulation of HAADF-STEM and SPR Spectra of Metal Nanoparticles

2/12/11 Department of Physics and Astronomy, Canterbury University, Christchurch, New Zealand
Two Metals Can be Better than One: Computational Studies of Nanoalloys

7/12/11 Centre for Theoretical Chemistry and Physics, Massey University (Albany Campus), Albany, New Zealand
Two Metals Can be Better than One: Computational Studies of Nanoalloys



2012

8/2/12 Inorganic and Materials Chemistry Seminar, University College London
Direct Global Optimisation of Nanoalloy Cluster Structures at the DFT Level

13/6/12 Eduard-Zintl-Institut, Technische Universitat Darmstadt, Germany
Computational Studies of Nanoalloy Clusters: Two Metals Can be Better than One at the Nanoscale

8/10/12 Centre for Scientific Computation, University of Warwick
Combining Theory and Experiment to Determine the Structures of Gas Phase Clusters

10/10/12 Chemical Physics Group, Chalmers University of Technology, Gothenburg, Sweden
Combining Theory and Experiment to Determine the Structures of Gas Phase Clusters

11/10/12 Department of Applied Physics, Chalmers University of Technology, Gothenburg, Sweden
Nanoalloys: Two Metals Can be Better than One at the Nanoscale

14/11/12 School of Chemistry, University of Edinburgh
Nanoalloys: Two Metals Can be Better than One at the Nanoscale



2013

28/2/13 Interdisciplinary Computing & Complex Systems (ICOS) Research Group, School of Computer Science, University of Nottingham
Exploring the Energy Landscapes of Cyclic Peptides

18/6/13 Theory Group, CINaM - Centre Interdisciplinaire de Nanoscience de Marseille, France
Combining Theory and Experiment to Determine the Structures of Gas Phase Metal Clusters

20/6/13 CINaM - Centre Interdisciplinaire de Nanoscience de Marseille, France
Nanoalloys: Two Metals Can be Better than One at the Nanoscale

12/7/13 Materials Science Division, Argonne National Laboratory, Argonne, IL, U.S.A.
Combining Theory and Experiment to Determine the Structures of Gas Phase Metal Clusters

11/11/13 Jinan University, Guangzhou, China
Nanoalloys: Two Metals Can be Better than One at the Nanoscale

14/11/13 Sun Yat-Sen University, Guangzhou, China
Nanoalloys: Two Metals Can be Better than One at the Nanoscale

15/11/13 Beijing University of Chemical Technology, China
Nanoalloys: Two Metals Can be Better than One at the Nanoscale

21/11/13 Bridge Cafe, Wudaokou, Beijing, China
Understanding Science Lecture: Nanoparticles: Small Science, Big Future (?)

22/11/13 Dulwich College (Beijing), China
School Lecture: Nanoparticles: Small Science, Big Future (?)

23/11/13 Shanxi University, Taiyuan, China
Combining Theory and Experiment to Determine the Structures of Gas Phase Metal Clusters

27/11/13 Northwestern Polytechnic University, Xi'an, China
Combining Theory and Experiment to Determine the Structures of Nanoalloys

28/11/13 Nanjing University, China
Combining Theory and Experiment to Determine the Structures of Gas Phase Metal Clusters

28/11/13 Southeast University, Nanjing, China
Combining Theory and Experiment to Determine the Structures of Nanoalloys



2014

25/2/14 Institut de Quimica Teorica i Computational (IQTCUB), Universitat de Barcelona, Spain
Combining Theory and Experiment to Determine the Structures of Gas Phase Metal Clusters



2015

3/6/15 Institute for Molecules and Materials, Radbout University Nijmegen, Netherlands
Combining Theory and Experiment to Determine the Structures of Sub-nanometre Metal Clusters

8/7/15 Nanoscale Science Department, Max-Planck Institute for Solid State Research, Stuttgart, Germany
Computational Studies of Surface-supported Clusters and Nanoparticles



2016

7/3/16 Department of Chemistry, IIT-Bombay, Mumbai, India
Nanoalloys: Two Metals Can be Better than One at the Nanoscale