ProfessorNickQuirke

Research Interests

• Nanomaterials in Biological Systems (see https://youtu.be/DECHlQnsVFQ)
• Electron trapping and transport in disordered materials
• Molecular Simulation (ab initio and classical)
• Statistical Mechanics

Plenary lectures/invited lecture tours

•  Predicting nanotoxicity: the smartnanotox project, at 3rd International Caparica Conference on Pollutant Toxic Ions and Molecules, 4 th- 7th November 2019, Portugal
• Nanoparticles at lipid membranes’, at the Fifth Molecular simulation workshop, (MS2019) October, Zhejiang university, Chin
• ‘Heat conduction at metal/polymer interfaces’ at the Asian Thermophysical Properties Conference October 2019, Xian
•  'Materials modelling' 4 lectures Xian Jiaotong university, Nov/Dec 2018
• 'Nanobio interactions’ at the 32nd Annual Meeting of the Molecular Simulation Society of Japan, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Japan, from 28 November (Wed) to 3 December (Fri), 2018.
• 'Excess electrons in nanocomposites’, Nagoya university, Japan, November 2018
•  'The bionano interface: Insights from molecular simulation and theory’ at MOLSIM 2018”, Shanghai , China, September 2018
• ‘Nanoparticles and membranes ‘, 2018 Annual, Nanotechnology conference, (given by C Contini) September 2018 VIENNA, Austria
•  'Calculation of nanoparticle PhysChem descriptors for cytotoxicity studies: SmartNanoTox project ‘, (given by M. Schneemilch) , Nanotechnology, July 3-6, Athens, Greece, 2018
•  Nanobio interactions’, CECAM workshop on "Bio-, chem-, and nanoinformatics  Nanoinformatics approaches to study bionano interface", Dublin , May 2018
• “Bilayer adhesion and electronic structure of nanoparticles” (given by Matt Schneemilch), ‘NP-lipid interaction’, (given by C. Contini), Smartnanotox, annual meeting, Slovenia, March 2018
• ‘Nanoparticle lipid interactions, MRS spring meeting, Phoenix, AZ, USA April 2018 (poster given by C Contini)
• ‘ Excess electrons’, Heat and power division, Xian Jiaotong university, Xian,  China, November , 2017
•  ‘ Excess electrons in polyethylene and related materials’, South-western Jiaotong university, Chengdu, china, November , 2017 (with F Saiz)
•  6 lectures ‘Solving the Schrodinger equation for materials properties’ , Xi’an Jiaotong university, Xi’an, china, November 2017
•  'Excess electrons in polyethylene: molecular dynamics and ab initio studies of interfacial systems’, Ulam computer simulation workshop, UCSW, Lviv, June, 201
• Free energy of adsorption of supported lipid bilayers from molecular dynamics simulation’, International conference on molecular simulartion,ICMS-2016, Shanghai, China, October, 2016
• Dielectric Breakdown Strength and Electrical Conductivity of Low Density Polyethylene Octylnanosilica Composite’, CIEDP, Toronto, Canada, October (2016)  (given by S Virtanen)
• 'Excess electron states in fluid methane’ at ‘Density-functional versus Lanczos approaches' Advances in the Studies of Mesoscale Problems, East China University of Science and Technology, Shanghai. September 2016 
• ‘Numerical solutions of the Schrodinger equation, Part 1’, Xian Jiaotong University, Xian, 6 lectures. September 2016
• ˜Some challenges in the simulation of biological membranes, Molecular Simulation 2016, Xian, April 2016, China
• ectrons in insulators: lessons from nanoscale modelling of polyethyleneâ, Advances in Nanotechnology 2015, Birmingham, BCU, June 2015
• 'Nanoparticles at membranes', Zing bionanomaterials conference, Tivoli Carvoeiro, Algarve. Portugal, April 2015
• 'Membrane pores' and 'electron states in PE' at the East China university of science and technology, Shanghai, April 2015
  
• 'Introduction to molecular simulation', First molecular simulation conference, BUCT, Beijing, China, January 2015
• 'Nanomaterials: Lessons from modelling and theory', BUCT, Beijing, China, Inauguration as Adjunct Professor, September 2014
• 'Nanoparticles at biological interfaces Universities of Brisbane, Melbourne and Perth, September 2014
• Electron trapping in Polyethylene, Harbin university  and Hong Kong University, August, 2014
• Nanoparticles at aqueous interfaces,, Water 2014, CECAM, Zaragoza, Spain , June 2014
•  Electron trapping in Polyethylene,, Workshop on Nanomaterials, Shanghai Jiaotong
• Nanoscale phenomena,,Dept of Chemistry, Shaanxi normal university, Xian, April 2016
• Numerical solutions of the Schrodinger equation, Part 2,, Xian Jiaotong University, Xian, 5 lectures. April 2016
• Pores, Nanoparticles and Membranes, European Conference of Computational Nano-toxicology CompNanoTox2015, Malaga, Spain, November 2015 (with M Schneemilch)
• Electron trapping in polyethylene,, at workshop on Electrical power equipment,, Xian Jiao tong University , Xian, China , October 2015
• Numerical solutions of the Schrodinger equation, Part 1,, Xian Jiaotong University, Xian, 10 lectures , October 2015
• Electron trapping in polyethylene,, at workshop on State-of the-Art modelling tools for design of dielectric materials,, Université Paul Sabatier, Toulouse, France. September 2015
• Numerical solutions of the Schrodinger equation, Part 2,, Xian Jiaotong University, Xian, 10 lectures , April 2015
• Numerical solutions of the Schrodinger equation, Part 1,, Xian Jiaotong University, Xian, 10 lectures , January 2015
• University, China, January 2014
• Numerical solutions of the Schrodinger equation,, Xian Jiaotong University, Xian, 10 lectures , January 2014
• New results for nanoparticles at interfaces,, at  Nanobioscience,, Lanzarotte, Spain, February 2013
• Nanoparticles at biological interfaces,, IWAMSN2012, Halong, Vietnam, November  2012
• Simulation of Material Properties (2 lectures), Summer School on Materials Modelling organized by Department of Chemistry, University of Eastern Finland, Joensuu, Finland, September 2-6, 2013
• Nanoparticles at biological interfaces,, Nanoscience, Puerto Calero, Spain, February 2012
• Electron transport and trapping in PE,, Opening plenary, The Institute of Physics Dielectrics Group conference. Autrans, France July 2011
• Nanoparticles and biomembranes, symposium on the potential of systems biology in the nanomedicine field, Centre for Integrative Biomedicine, Kings College, London, UK, July 2011
• Raman scattering from carbon nanotubes as a solvent probe: experiment, theory and simulation, Nanoscience, February 2011, Egypt (cancelled due to Arab Spring,)
• Simulation, theory and experiment of boundary flow in nanopores,, Nanobio physics and Chemistry, Zing conference, January 2009, Antigua
• Nanofluidics, , Nano Training Summer School, IMechE, London, UK June 2008
• Nanofluidics,, EC-funded Marie Curie Training Course EF2: Nanostructured material and membrane modelling and simulation,, June 2008, Patras, Greece
• Computational Nanofluidics,, Microfluidics and Nanofluidics Conference, February 2008, Cancun, Mexico
• Grand challenges for HPC: A perspective from Science,, CHCP national Meeting, December 2007, Cape Town, South Africa
• Nanofluidics: a big fuss about nothing?,, IWNA, Vung Tau, Vietnam, November 2007
• Institute of Physics (Ireland) invited lecture tour: QUB, NICC and Maynooth, Nanofluidics: a big fuss about nothing?, Autumn 2007
• Interaction of Fluids with Nanomaterials,, 30th International Conference on Solution Chemistry Perth, Western Australia, July, 2007
• Nanoflows,, Nanotech 2006, Boston, May 2006, USA
• Nanoflows,, Storms River nanotechnology summer school, Eastern Cape, South Africa, April 2006
• Nanomaterials:past, present, Future, Storms River nanotechnology summer school, Eastern Cape, South Africa, April 2006
• Dynamics of fluids interacting with nanotubes,, Innovative Nanoscale Approach to Dynamic Studies of Materials, ECI foundation, Okinawa, Japan, January 2006
• Nanoflows,, Nanotech 2005, Pasadena, May 2005, USA
• Nanoflows, 9,th UK/SA Conference on Materials, University of the Limpopo, South Africa , March 2005.
• Modelling Nanomaterials interacting with fluids: Nanofluidics, EU/SA workshop on Nanomaterials by Design, Berg en dal, January 2005, South Africa
• Computational nanofluidics,, Pacific Rim Conference in Nano-sciences: Broome, September 2004, WA, Australia.
• Interaction of fluids with nanomaterials,, The 3rd International Conference Computational Modeling and Simulation of Materials, Acireale, June , 2004, S Sicily, Italy
• Interaction of fluids with nanomaterials, at Nanoclusters, Nucleation and Crystal Growth, SSG meeting Mansfield college, April , 2004, Oxford, UK
• Nanofluidics: new MD methodologies, Nanotech 2004, Boston, February 2004, USA
• Nature at the nanoscale, at " Characterization of Porous Materials: from Angstroms to Millimeters" June 23-25, 2003, Princeton , USA
• Physical Chemistry of Nanomaterials: Insights from Molecular Modelling and Theory, Nanotech 2003 San Francisco February 2003, USA
• Interaction of fluids with nanomaterials,, Yangtze Conference on Fluids and Interfaces; October 2002, China
• Nature at the nanoscale,, NanoteC02, British and French Carbon Groups, University of Sussex, UK, August 2002
• Nature at the nanoscale,, 17^th IUPAC International Conference on Chemical Thermodynamics, Rostock, F.R. Germany, Aug 2002
• Fluid Flow in nanopores,, SIXTH LIBLICE CONFERENCE on the Statistical Mechanics of Liquids, Czech Republic June 2002
• Wetting Nanoscale Interfaces, TRI/Princeton Workshop Nanocapillarity: wetting of heterogeneous surfaces and porous solids,, Princeton, NJ, USA, June 2001
• Nature at the nanoscale, 5th UK/SA Conference on Materials, University of the North, South Africa , March 2001.
• Theory and simulation of mixed gas adsorption,, Second International Pacific Conference on Adsorption, Brisbane, Australia, May 2000. (given by M Sweatman due to diary clash)
• Simulation Studies of Interfaces, The International Symposium on New Trends in Colloid and Interface Sciences ( NTCIS-Chiba98 ) Japan, September 1998.
• Aspects of Modelling Interfaces, Catalysis by Designed materials, ACS National Meeting, Boston, USA , August 1998
• Modeling Surfaces, Liblice Conference Czech Republic June 1998
• Materials Modelling Research 2,nd UK/SA Conference on Materials, University of the North, South Africa (April 1998)
• Adsorption Phenomena, 1,st UK/SA Conference on Materials, University of the North, South Africa (April 1997)
• Industrial Applications of Molecular Simulation, ACS Annual Meeting, San Francisco USA (April 1997)
• Industrial Applications of Molecular Simulation, AICHE Annual Meeting, Chicago, USA (November 1996).
• Materials Modelling, NSF Conference on New Directions for Materials Research, UCSB, Santa Barbara, USA (January 1996)
• New Developments in Computational Chemistry, 6'th International Conference on Molecular modelling Fukui, Japan (November 1994)
• Computational Chemistry and Chemical Process Design, ASPENWORLD Process Engineering Conference, Boston USA (November 1994)
• Physical Chemistry of Adsorption, International Conference on Adsorption, Grenada, Spain (July 1994)
• Phase Behaviour in Pores, 12th IUPAC Meeting on Chemical Thermodynamics Utah, USA (August 1992)
• Molecular modelling and the Theory of Adsorption, Chiba University, Tokyo, Japan (May 1992)
• Modern Theory of Adsorption, NATO ASI Portugal (April 1992)
• Pore Size Distributions using Molecular Methods, 1991 Biennial Conference on Carbon, Santa Barbara, USA (June 1991)
• Phase Behavior in Pores, Chemistry on Supercomputers, Chicago, IL, USA (September 1988)
• Thermodynamics of Continuous Fluids, International Symposium on Thermodynamics in Chemical Engineering and Industry, Beijing, China and Tsinghau University, Beijing, China (June 1988)
• Fluid Phase Equilibria, Gordon Conference on Separations Chemistry, Colby College, New Hampshire, USA (August 1986)

Invited lectures

• Plenary lecture ‘challenges in dielectrics for power applications’ Bertinoro, Italy at ‘Extra-high Voltage DC Transmission: Challenges for Science and Technology’ September 2019
•  ‘Biomembranes on metal and oxide surfaces’ CECAM conference on ‘Bio-molecular mechanisms at functionalised solid surfaces’, CNRS, Paris May (2019)
•  ‘ Excess electrons in polyethylene and related materials’, Molecular Simulation 2017/National computational chemistry conference, Nanjing university , Nanjing, china
• Nanoscale phenomena dept of Chemistry, Shaanxi normal university, Xian, April 2016
• Numerical solutions of the Schrodinger equation, Part 2,, Xian Jiaotong University, Xian, 5 lectures. April 2016
• Pores, Nanoparticles and Membranes, European Conference of Computational Nano-toxicology CompNanoTox2015, Malaga, Spain, November 2015 (with M Schneemilch)
• Electron trapping in polyethylene,, at workshop on Electrical power equipment,, Xian Jiao tong University , Xian, China , October 2015
• Numerical solutions of the Schrodinger equation, Part 1,, Xian Jiaotong University, Xian, 10 lectures , October 2015
• Electron trapping in polyethylene,, at workshop on State-of the-Art modelling tools for design of dielectric materials,, Université Paul Sabatier, Toulouse, France. September 2015
• Numerical solutions of the Schrodinger equation, Part 2,, Xian Jiaotong University, Xian, 10 lectures , April 2015
• Numerical solutions of the Schrodinger equation, Part 1,, Xian Jiaotong University, Xian, 10 lectures , January 2015
• Electron trapping in Polyethylene,, Harbin university  and Hong Kong University, August, 2014
• Nanoparticles and membranes, Zing nanobio conference, Nerja, Spain, April 2014 (given by M Schneemilch)
• Electron trapping in Polyethylene,, BUCT, Beijing, China, January 2014
• Electron trapping in Polyethylene,, Dept of power engineering, Shanghai Jiaotong University,
• Electron trapping in Polyethylene,, Chemistry Dept, Xian Jiaotong University, Xian, China, January 2014
• Nanoparticles at lipid interfaces,,  Membrane Nanopart meeting, Dept of Physics, LM University, Munich, Germany December 2013
• Electron trapping in Polyethylene, , IWAMSN2013, Vung Tau, Vietnam, November  2013
• Nanoparticles at lipid interfaces,, Dept of Physics, University College Dublin, June 2013
• Density of States Study of Polymer Nanocomposites Interfaces, at  Nanobioscience,, Lanzarotte, Spain, February 2013 with Marc Meunier (given by MM)
• Electron trapping in amorphous materials,, at Perspectives in Materials Science”, U Limpopo, South Africa, January 2013
• 'Nanoparticles at lipid interfaces,, at Water in biological systems,, CNRS Orleans, France, December 2011
• First steps in modelling electron trapping and transport in PE,, Accelrys, Cambridge, November 2011
• Molecular modelling of electron trapping in insulating polymers, Southampton University, January 2011
• Low frequency solvent shifted Raman modes of carbon nanotubes, (Pacifichem), Honolulu, Hawaii, USA, Dec 2010
• Low frequency solvent shifted Raman modes of carbon nanotubes,Zhejiang University, Hangzhou, China, November, 2010
• Low frequency solvent shifted Raman modes of carbon nanotubes, BUCT, Beijing , China, September, 2010
• Molecular modelling of polymers, Xi,an Jiaotong workshop on insulators, Xi,an , China, August 2010
• Detection of the squash modes of nanotubes, Liblice Statistical mechanics conference, Czech Republic, June 2010
• Boundary conditions for nanoscale flow, PPEDDP, Shanghai, China, May 2010
• Nanofluidics,, Department of Chemistry, University of Hong Kong, November 2009
• Nanofluidics,, IWNA, Vung Tau, Vietnam, November 2009
• Nanofluidics, Beijing University of Chemical Technology, November 2009 Beijing, China
• Nanofluidics, Unilever Centre for Molecular Informatics , University of Cambridge, May 2009, UK
• Atomistic scale simulation of the interaction of nanomaterials with biological fluids, Nanotech 2009, May 2009 Houston, Texas, USA
• Nanoscale Friction, ACAM/CECAM workshop on Driven Microfluidics, UCD, May 2009
• Nanofluidics, Dept of Chemical Engineering, Strathclyde Univeristy, February 2009
• Nanopipes for drug delivery, M. Whitby, M Thanou, N Quirke Nanobio Physics and Chemistry, Antigua, January 2009 (Contributed: delivered by Max Whitby)
• Nanofluidics, at Supra-Nano 2008, RSC conference, University of Birmingham, December 2008, UK
• Nanomaterials at Biological Interfaces, 5,th Nanobio Group seminar, UCD, November 2008, Ireland
• Nanomaterials at Biological Interfaces, BioInformatics Group seminar, UCD, November 2008, Ireland
• Nano materials at interfaces, Chemistry department, University of Bath, October 2008, UK
• Slip Boundaries, Computational nanofluidics, CECAM workshop, Lausanne , September 2008
• Nanofluidics, Winter School, South African Institute of Physics, Limpopo University, SA, July 2008
• The Interaction of Fluids and Bio-membranes with Polymeric and Carbon Nanomaterials, Nanotech 2008, Boston, Mass, USA
• Nanoparticles at lipid interfaces, 4,th Nanobio meeting, UCD, Dublin , May 2008, Ireland
• Modelling Flow ZING Conference on Computational Chemistry, January 2008, Antigua
• Transport phenomena in carbon nanopipes: fluid flow and nanoparticle diffusion, IWNA, Vung Tau, Vietnam, November 2007 (given by Max Whitby)
• The Interaction of Fluids and Bio-Membranes with Polymeric and Carbon Nanomaterials, AICHE annual meeting, Salt Lake City, Utah, November 2007 USA
• Interaction of Fluids with Nanomaterials, CCP2007 conference on computational physics, Brussels, September 2007, Belgium
• Use of Simulation, Theory and Experiment to Explore Nanofluidics, Tyndall Institute, Cork, July 2007, Ireland
• Interaction of Fluids with Nanomaterials, University College Dublin, May 2007, Ireland
• Nanoparticle transport through carbon nanopipes, Nanotech 2007, Santa Clara, May 2007, USA (given by M. Whitby)
• Interaction of Fluids with nanomaterials,, Nanotech 2007, Santa Clara, May 2007, USA
• Interaction of Fluids with Nanomaterials, Trinity College Dublin, May 2007
• Interaction of Fluids with Nanomaterials, Chemistry Dept, University of Leeds, UK , April 2007
• Nanofluidics, South African Chemical Congress, Durban, South Africa, December 2006
• The environmental effect on the radial breathing mode (RBM) of carbon nanotubes in water, 10,th Materials Modelling Conference, U Limp, South Africa March 2006
• Dynamics of fluids interacting with nanotubes, Pacifichem 2005, Hawaii, USA, December 2005
• Simulating nanoflows,, Biosensors and Nanopores, Interaction meeting 2005, Basel, Switzerland , November 2005
• Characterisation of Porous Solids COPS VII (with Sweatman and P Pullumbi, given by M Sweatman) Aix-en-Provence, 2005, France
• Viscous drag forces in gas operated pressure balances, 4,th CCM International Conference on Pressure Metrology, London April 2005
• Nanofluidics,, RSC lecture, University of Wales, Bangor April 2005
• Molecular Modelling, 4 lectures Nanomaterials Modelling summer school , January 2005, South Africa
• Flow at the nanoscale, NCSU, USA November 2004
• Filling nanopores,, November 2004, AICHE Austin, Texas, USA
• Wetting of nanopatterned surfaces, November 2004, AICHE Austin, Texas, USA
• Predicting the adsorption and isosteric heat of pure gases in active carbons with the slit pore model, November 2004, with M Sweatman, AICHE Austin, Texas, USA
• Modelling gas adsorption in active carbons: DFT V AST, November 2004, with M Sweatman, AICHE Austin, Texas, USA
• Simulating fluid crystalline solid equilibria with the gibbs ensemble, November 2004, with M Sweatman, AICHE Austin, Texas, USA
• Surface friction Accelrys Nanomaterials consortium meeting,, October 2004, New York, USA
• Transient flows in nanopores, at the CCP5 Summer School, July 2004 Cardiff, UK
• Interactions of fluids with nanomaterials,, HK Institute of Science and Technology, March 2004, Hong Kong,
• Computational approaches to nanofluidics,, Chemistry department, Chinese University of Hong Kong, , March 2004, Hong Kong
• Nanotechnology in the UK, , Euro Nanotech panel, Nanotech 2004, Boston, March, 2004, USA
• Molecular simulation of nanomaterials,, University of the North, October, 2003. 4 lectures, South Africa,
• Interactions of fluids with nanomaterials,, Democritus, NRC, Athens, October 2003, Greece
• Interactions of fluids with nanomaterials,, Mechanical engineering department, University of Hong Kong, , September 2003, Hong Kong
• Nanotechnology: something old, something new, Royal Society/ Kan Tong Po Lecture, University of Hong Kong, September 2003, Hong Kong
• Physical Chemistry of Nanopores, , Chemistry department, University of Hong Kong, , July 2003, Hong Kong
• Interactions of fluids with nanomaterials, Office of Science and Technology, Perth, July 2003, Australia
• Interactions of fluids with nanomaterials, Chemistry, ANU, Canberra, July 2003, Australia
• Interactions of fluids with nanomaterials, Physics Department, Liverpool University, May 2003, UK
• Interactions of fluids with nanomaterials, National Physical Laboratory, Teddington, April 2003, UK
• Fluids interacting with nanomaterials,, Lawrence Livermore National Lab Materials Research Institute off-site nanoscience meeting, Livermore, February, 2003, USA
• Introduction to Physical Chemistry of Nanomaterials: Insights from Molecular Modelling and Theory, Accelrys workshop San Francisco February 2003, USA
• Interactions of fluids with nanomaterials,, December 2002,Chemistry Department, Boston University, December 2002, USA
• Molecular simulation of nanomaterials, University of the North, November , 2002. 4 lectures, South Africa
• Chemical Defects as Electronic Traps in Polymer Insulators,2002 IEEE/CEIDP Cancun, Quintana Roo, October 20-24, 2002 (with Marc Meunier, L Marcelli), given by L Marcelli, Mexico
• Fluids in Nanopores, , University of Hong Kong, chemistry department, October 2002, Hong Kong
• Fluids in nanopores, , Royal Institution, June 2002, UK
• Fluids in nanopores, Chemistry department, University of Kent at Canterbury, Canterbury, May 2002, UK
• Molecular modelling of sorption properties of activated carbons, European Molecular Modelling Workshop, May, 2002, Teltow, Germany
• Molecular modelling of the flow in nanotubes, European Molecular Modelling Workshop, May, 2002, Teltow, Germany
• Modelling fluids in nanomaterials, Chemical engineering department, University of Loughborough, Loughborough, May 2002, UK
• Fluid flow in nanotubes, Carbon polymorphs workshop, Rutherford Appleton Laboratory, February, 2002 , UK
• Electron transport and trapping in polyethylene, Electrical engineering department, Leicester University, November, 2001, UK
• Nanoscale transport, Statistical Mechanics of Adsorption conference, IC, UK October 2001
• Nanopores` at Bridging the Time-Scale Gap, SIMU conference, Konstanz, Germany , September 2001 (given by V Sokhan)
• Nature at the nanoscale, NCSU, USA March 2001
• Electron transport and trapping in polyethylene, Electrical Engineering Dept, University of Wales, Bangor, UK, November 2000
• Characterisation of charge carrier traps in polymeric insulators, 2000 IEEE conference on electrical insulation and dielectric phenomena, Victoria, BC, Canada, October 2000
• Electron transport and trapping in polyethylene, Materials Chemistry 5, RCS conference, July 2000, Bangor, UK (with Marc Meunier, presented by Marc Meunier).
• Modelling adsorption phenomena, Chemical Engineering Dept, University of Brisbane, Australia, July 2000.
• Modelling nanoscale interfaces, Computer Science Department, Swinburne University, Melbourne Australia, July 2000
• Electron transport and trapping in polyethylene, ICDIM, Johannesburg, South Africa, April 2000.
• Virtuous circles: Colloidal Particles in Simulation, Theory and Experiment, RSC lecture, Chemistry department, University of Warwick, UK, February 2000.
• Modelling Nanoscale Interfaces, Chemistry Dept. Australian National University, Australia, January 2000.
• Modelling nanoscale interfaces, Physics Dept. University of Leeds, UK, November 1999
• Simulation of colloidal particles at fluid interfaces, CCP5 Annual meeting, , University of Birmingham (UK), (with F. Bresme), given by F. Bresme, September 1999
• Computer simulation of wetting, RSC Colloid Group meeting, Hull University. UK, September 1999 (with F Bresme and N Fenwick).
• Pore size distributions from gas adsorption, North Carolina State University , SC, USA July 1999
• Pore size distributions from gas adsorption, Carbon 99, Charleston, SC, USA July 1999 (with P Kluson and S Scaife)
• Modelling nanoscale interfaces, Thermodynamics 99, , Imperial College of Science, Technology and Medicine, London (UK), given by F. Bresme, April 1999
• Pore size distributions from gas adsorption, Democritus NRC, Athens, Greece, April 1999
• Virtuous circles: Colloidal Particles in Simulation, Theory and Experiment, Guest lecture in the Sonderforschungsbereich 448, Mesoscopically Organised Composites, Berlin, FRG, January 1999
• Virtuous circles: Colloidal Particles in Simulation, Theory and Experiment, RSC Symposium, Advances in Molecular Simulation, Imperial College, London, UK, January 1999
• Molecular Simulation: Methods and Applications to Physical Chemistry, UK Liquids Network Computer Simulation Workshop, Abingdon, Oxon, UK, January 1999
• Molecular Modelling: A Tool for the Modern Era,, RSC conference, QMW, London, UK, December 1998.
• Nanoparticle Wetting,, ACS National Meeting, Boston, USA , August 1998
• Electron Trapping in Polymer Insulators: A New Approach using Molecular Modelling, (with M. Meunier (Ph D student), D Binesti (EDF)), Societe Francaise du Vide, Tours, France July 1998
• Wetting Phenomena, (given by F Bresme ) Liblice Conference Czech Republic June 1998
• The Molecular Approach to the Characterisation of Solids, SCI, Earls Court, London, UK (April 1998)
• Fundamentals of Nanoscale Wetting, University of the North, South Africa (January 1998)
• Molecular Modelling for Scientists and Engineers in Industry, RSC Industrial Division Meeting London, UK, (December 1997).
• Molecular Simulation of Fluid Phase Behaviour, Ecole des Mines de Paris, France (September 1997)
• Industrial applications of Molecular Modelling, Exxon Research Labs, Abingdon, Oxon, UK (March 1997)
• Adsorption Phenomena, Chemistry Department, Surrey University, UK (January 1997)
• Simulation Studies of Pore Blocking Phenomena in Model Porous Carbon Networks, 1996 Annual Meeting of the American Institute of Chemical Engineers, Chicago, USA (November 10, 1996). (given by M.W. Maddox)
• La Piagment des Electrons, EDF, Fontainebleau, France (October 1996)
• Simulation Studies of Pore Blocking Phenomena in Model Porous Carbon Networks,, 4th International Symposium on the Characterization of Porous Solids, Bath, U.K (September 1996) (given by M.W. Maddox)
• La Modelisation du Transport de Gaz dans les Polymers, Total, Paris, France (July 1996)
• Molecular Modelling, Daresbury Lab UK (June 1996)
• Modelling and Management, Shell Research Labs Houston Texas USA (April 1996)
• Le calcul des affinities electroniques avec DFT, ALCATEL, Calais, France (April 1996)
• Simulation Studies of Pore Blocking Hysteresis in Model Porous Carbon Networks,, Fifth International Conference on Fundamentals of Adsorption, Asilomar, CA, USA (May 1995). (given by C.M. Lastoskie)
• Fluid Phase Equilibria, Amoco Research, Chicago, USA, Repsol Research Centre, Madrid, Spain (May 1994), Total Research, Paris, France (July, 1994), Shell Research, Amsterdam, The Netherlands,(July 1994), Statoil Research Centre, Norway (August 1994), Shell Houston, USA (February 1995)
• Gibbs Ensemble Monte Carlo Simulation, Science Group, Biosym, San Diego, USA (February 1994)
• Adsorption: Theory and Simulation, Unilever Research, Runcorn, UK (January 1994), British Gas Research Centre, Loughborough, UK (January 1994)
• Organic Interfaces, Wellcome PLC Research Centre, London, UK (January 1994)
• Physical Chemistry at Interfaces, L'Air Liquide Group Research, Paris (November 1993), France, Institut Francais du Patrole, Paris, France (November 1993)
• Molecular modelling of Adsorption Phenomena, CECAM, Paris, France (November 1993)
• Air Separation in Model Sieve Carbons, and , Sorbent Pore Size Distributions from Density Functional Analysis, Annual Meeting of the American Institute of Chemical Engineers, St. Louis, USA (November 1993) (given by C.M. Lastoskie)
• Physical Chemistry at Interfaces, Chemistry Dept., University of Reading, UK (July 1993)
• Adsorption in Amorphous Materials, COPS 111 Marseilles, France (May 1993)
• Physical Chemistry at Interfaces, Chemistry Dept., University of Bath, UK (December 1992)
• Adsorption and Structural Properties of Porous Materials, Chemistry Dept., Imperial College, UK (April 1992)
• Structure of Porous Media, Cornell University, USA (November 1991)
• Molecular Modelling, Chemistry Dept., Swansea University, UK (November 1991)
• Molecules and Microstructures, ETH, Zurich, Switzerland, (February 1991)
• Molecular Dynamics of Langmuir-Blodgett Films, University of California at Berkeley, USA (August 1990)
• Molecules and Microstructures, NATO, ASI, Cargese, France (July 1990)
• Molecular modelling of Fluids in Porous Media, Royal Institution, UK, (January 1990)
• Molecules and Microstructures, CCP5 Meeting on Challenges in Simulation, Cambridge, UK (January 1990)
• Chemical Modelling, Chemistry Dept., Swansea University, UK (November 1989)
• Structure and Dynamics at Interfaces, Du Pont Central Research, USA (September 1989)
• Langmuir-Blodgett Films, Cornell Theory Center Conference on Computational Physics, Ithaca, New York, USA (September 1989)
• Molecules in Small Pores, and Langmuir-Blodgett Films: Structure and Dynamics, University of California at Berkeley , USA (May 1988)
• Polydisperse Fluids - What we can learn from Simulation, Kyoto University, Japan (May 1988)
• "Molecular Modelling and Industry" CCP5 Meeting on Industrial Application of Molecular modelling, London, UK (January 1988)
• Thermodynamics in the Chemical Industry, Chemistry Dept., Swansea University, UK (November 1987).
• Modelling and the Chemical Business, Senior Management Seminar of the Chemical Industry, London, UK (November 1987)
• Microcrystal Melting as a Finite Size First Order Transition, Royal Society of Chemistry Meetings on Small Systems, York, UK (September 1987)
• The Azeotropic Behaviour of Liquid CO2/C2H6, A Simulation Study, Royal Society/CPC Meeting on Dense Fluids, Bristol, UK (April 1985)
• Calculations of Fluid Phase Equilibria, AICHE Meeting, San Francisco, USA (November 1984)
• Molecular modelling Methods, Engineering Foundation Conference on New Directions In Separations Technology, Davos, Switzerland (October 1984)
• Predicting Phase Changes, Structure and Dynamics by Molecular modelling, Boston College (February 1984), University of Houston (March 1984), Rice University (March 1984), Washington State University (April 1984), University of California at Berkeley, USA (April 1984).
• Melting In Pores, CCP5 Meeting on Phase Transitions, Southampton, UK (December 1983)
• Molecular modelling and Phase Behaviour, Cornell Symposium, USA (August 1983)
• Computer Simulation in Science and Engineering, Conference on Computers in Higher Education University of Southern Maine, USA (1983)
• Dipolar Fluids, CCP5 Meeting on the Simulation of Molecular Liquids Hull, UK (1983)
• Perturbation Theory, Faraday Division of the Chemical Society Meeting on Molecular Liquid Mixtures Hull, UK (1983)
• Molecular modelling in Chemistry, University of Maine, USA (August 1982)
• ˜Direct Calculations of Free Energies Cornell University , USA (August 1982)
• Calculation of Thermodynamic Potentials Using Simulation, EXXON Corporate Research, New Jersey, USA (August 1982)
• Structure and Dielectric Constants of Model Molecular Liquids™ Rundschrelber Zum Bunsenkolloquim, Bielefeld, Germany. (1982)
• ˜Perturbation Theory Chemistry Department, University of Guelph, Canada (July 1981), also Cornell, USA (July 1981)
• ˜The Calculation of Free Energies by Direct Monte Carlo MethodDaresbury, UK (1980).

Ph.D. (awarded)

1988   M R Stapleton (Joint with D J Tildesley)

1991   K S Kim (Joint with D J Tildesley)

1991   S Sharma (Joint with L V Woodcock)

1993   C Lastoskie (Joint with K E Gubbins)

1994   M Callaway (Joint with D J Tildesley)

1994        M Gardner (Joint with J Dore) 

1999        S Scaife

2001   M Meunier

2001   N Fenwick

2004    S Supple

2007  M Longhurst

2009  M Whitby

2010  N Walji

2013 M Groombridge

2014  C deFrein

MS

M Cielinski, 1985

M.Phil

A Turner, 1998

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J Stawikowska 2008