UCD School of Chemical & Bioprocess Engineering
Scoil na hInnealtóireachta Ceimicí agus Bithphróisis UCD
Dr Niall English BE PhD
Contact Details
|
 |
Biography:
Niall English obtained a First Class Honours degree in Chemical Engineering from UCD in 2000. In 2003, Dr English completed a Ph.D. at UCD (Dept. of Chemical Engineering) on the molecular simulation and theoretical analysis of the effect of electromagnetic (e/m) fields on the crystallisation kinetics of methane hydrates. During 2004-2005, Niall carried out further simulation and theoretical studies on hydrate dissolution and on the effect of e/m fields on water and metal oxides at the National Energy Technology Laboratory, a U.S. DOE research facility in Pittsburgh, in conjunction with Dept of Chemical Engineering at the University of Pittsburgh. During 2005 to 2007, he worked for the Chemical Computing Group in Cambridge, GB. Here, Niall developed molecular simulation codes, protocols and methods for biomolecular simulation, used chiefly in structure-based drug design applications in the pharmaceutical industry. Niall commenced his position as a lecturer in the School of Chemical and Bioprocess Engineering in January 2007. He is currently lecturing on chemical engineering design, experimental design, process control and molecular simulation. His research interests encompass computational nanoscience and simulation of e/m field effects on (nano)materials and biological systems. |
Research Interests
| Electromagnetic field effects on matter for a research overview of e/m field effects on proteins click here Equilibrium and kinetics of clathrate hydrates. DFT modelling of solar energy processes, hydrogen storage and carbon dioxide fixation. Funding Awards Awarding Body: Science Foundation Ireland (2008) ¿29,000 approx. (notional value) Awarding Body: Science Foundation Ireland (2007) ¿4.74 million Awarding Body: Royal Irish Academy (2007) ¿2,420 Awarding Body: UCD (2007) ¿48,000 plus fees paid Awarding Body: UCD (2007) ¿1,056 Awarding Body: Science Foundation Ireland (2007) ¿448,210 Awarding Body: Ireland Canada University Foundation (2007) ¿5,000 Awarding Body: UCD (2007) ¿12,500 |
Research Projects
| Sponsor : University College Dublin (UCD) Title : Mechanisms of Thermal Conduction in Amorphous Ices Start Date / End Date : 17-MAY-10 / 16-NOV-11 |
Book Chapters
| N.J. English, J.-A. Garate and J.M.D. MacElroy; (2011) 'Static and alternating electric field and distance-dependent effects on carbon nanotube-assisted water self-diffusion across lipid membranes' In: Carbon Nanotubes. Rijeka, Croatia: Intech. [Details] |
Peer Reviewed Journals
| A.J. Singh, N.J. English, and K.M. Ryan (2013) 'Highly Ordered Nanorod Assemblies extending over device scale areas and in controlled multilayers by Electrophoretic Deposition'. Journal of Physical Chemistry B, . [DOI] [Details] |
| S. Agrawal, P. Dev, N.J. English, K.R. Thampi and J.M.D. MacElroy (2012) 'A TD-DFT study of the effects of structural variation on the photo-chemistry of polyene dyes'. Chemical Science, . [Details] |
| A.J. Singh, R.D. Gunning, S. Ahmed, C.A. Barrett, N.J. English, J.A. Garate and K.M. Ryan (2012) 'Controlled Semiconductor Nanorod Assembly from Solution: Influence of Concentration, Charge and Solvent Nature'. Journal of Materials Chemistry, . [Details] |
| N.J. English, P.D. Gorman and J.M.D. MacElroy (2012) 'Thermal Conductivity of Hydrogen Hydrate'. The Journal of chemical physics, . [Details] |
| P.D. Gorman, N.J. English and J.M.D. MacElroy (2012) 'Dynamical Cage Behaviour and Hydrogen Migration in Hydrogen and Hydrogen-Tetrahydrofuran Clathrate Hydrates'. The Journal of chemical physics, . [Details] |
| R. Long and N.J. English (2012) 'Band gap engineering of (N,Si)-codoped TiO2 from hybrid density functional theory calculations'. New Journal of Physics, . [Details] | |||||||||
| R. Long, N.J. English and O.V. Prezhdo (2012) 'Photo-induced charge separation across the graphene-TiO2 Interface is faster than energy losses: a time-domain ab initio analysis'. Journal of the American Chemical Society, . [Details] | |||||||||
| K.A. McDonnell, N.J. English, M. Rahman and D. Dowling (2012) 'The Influence of Doping on the Photo-active Properties of Magnetron-Sputtered Titania Coatings: An Experimental and Theoretical Study'. Physical Review B, . [Details] | |||||||||
| N.J. English and J.S. Tse (2012) 'Pressure-induced amorphisation of methane hydrate'. Physical Review B, . [Details] | |||||||||
| M.M. El-Hendawy, J.A. Garate, N.J. English, S. O¿Reilly and D.A. Mooney (2012) 'Diffusion and Interactions of Carbon Dioxide and Oxygen in the Active Site Vicinity of Rubisco: Molecular Dynamics and Quantum Chemical Studies'. The Journal of chemical physics, . [Details] | |||||||||
Gleb Y. Solomentsev, Niall J. English and Damian A. Mooney (2012) 'Effects of external electromagnetic fields on the conformational sampling of a short alanine peptide'. Computational Chemistry, 33 (9):917-923.  [DOI] [Details] |
|||||||||
| R. Kavathekar, N.J. English and J.M.D. MacElroy (2012) 'Spatial distribution of water monolayers at the TiO2 rutile- and anatase-titania interfaces'. Chemical Physics Letters, . [Details] | |||||||||
| P. Garcia-Fernandez, S. Ghosh, N.J. English and J.A. Aramburu (2012) 'A Benchmark study for the application of Density Functional theory to the prediction of octahedral tilting in perovskites'. Physical Review B, . [Details] | |||||||||
| N. Varini, N.J. English and C. Trott (2012) 'Molecular Dynamics Simulations of Clathrate Hydrates on Specialised Hardware Platforms'. Energies, . [Details] | |||||||||
| S. Agrawal, N.J. English, K.R. Thampi and J. M. D. MacElroy (2012) 'Perspectives on quantum-based molecular simulation of excited-state properties of organic dye molecules in dye-sensitised solar cells'. Physical chemistry chemical physics : PCCP, . [Details] | |||||||||
| P. Dev, S. Agrawal and N.J. English (2012) 'Determination of the appropriate exchange-correlation functional for TD-DFT studies of charge-transfer excitations in organic dyes'. The Journal of chemical physics, . [Details] | |||||||||
| M.M. El-Hendawy, N.J. English and D.A. Mooney (2012) 'On the Mechanism of Atmospheric CO2 Fixation into the Dinuclear Cryptate Cavity'. Inorganic Chemistry, . [Details] | |||||||||
| N.J. English, R. Kavathekar and J.M.D. MacElroy (2012) 'Hydrogen bond dynamical properties of adsorbed liquid monolayers with various TiO2 interfaces'. Molecular Physics, . [Details] | |||||||||
| N.J. English, P.G. Kusalik and S. Woods (2012) 'Coupling of Translational and Rotational Motion in Chiral Liquids in External Electromagnetic and Circularly Polarised Electric Fields'. The Journal of chemical physics, . [Details] | |||||||||
| English, N. J.,Mooney, D. A.,O'Brien, S.; (2011) 'Ionic liquids in external electric and electromagnetic fields: a molecular dynamics study'. Molecular Physics, 109 (44):625-638625. [Details] |
|||||||||
| Nolan, M.,Long, R.,English, N. J.,Mooney, D. A.; (2011) 'Hybrid density functional theory description of N- and C-doping of NiO'. Journal of Chemical Physics, 134 (2222). [Details] |
|||||||||
| J.-A. Garate, N.J. English and J.M.D. MacElroy; (2011) 'Human aquaporin 4 gating dynamics in dc and ac electric fields: a molecular dynamics study'. The Journal of chemical physics, 136 . [Details] | |||||||||
| N.J. English and J.S. Tse; (2011) 'Density Fluctuations in Liquid Water'. Physical Review Letters, 106 . [Details] | |||||||||
| M.M. El-Hendawy, N.J. English and D.A. Mooney; (2011) 'A Theoretical Thermodynamic Investigation of Cascade Processes in Dinuclear Octa-azcryptates involving Carbon Dioxide'. Journal of Molecular Modeling, . [DOI] [Details] | |||||||||
| R. Long and N.J. English; (2011) 'Tailoring electronic structure of TiO2 by cation doping from hybrid density functional theory calculations'. Physical Review B, 83 (15). [Details] | |||||||||
| N.J. English and J.S. Tse; (2011) 'Thermal conduction and phonon propagation in pressure-amorphized ices'. Physical Review B, 83 (18). [Details] | |||||||||
| S. Agrawal, P. Dev, N.J. English, K.R. Thampi and J.M.D. MacElroy; (2011) 'First-principles study of excited-state properties of coumarin-derived dyes in dye-sensitized solar cells'. Journal of Materials Chemistry, 21 (30):11101-11108. [Details] | |||||||||
| R. Long and N.J. English; (2011) 'Band Gap Engineering of double-cation-impurity-doped anatase-titania for visible-light photocatalysts: a hybrid density functional theory approach'. Physical Chemistry Chemical Physics, 13 (30):13698-13703. [Details] | |||||||||
| R. Long and N.J. English; (2011) 'Electronic properties of anatase-TiO2 codoped by cation-pairs from hybrid density functional theory calculations'. Chemical Physics Letters, 513 (4-6):218-223. [Details] | |||||||||
| R. Long and N.J. English; (2011) 'New insights into band gap narrowing of (N, P)-codoped TiO2 from hybrid density functional theory calculation'. ChemPhysChem, 12 (14):2604-2608. [Details] | |||||||||
| R. Kavathekar, P. Dev, N.J. English and J.M.D. MacElroy; (2011) 'Molecular dynamics study of water in contact with TiO2 rutile-110, 100, 101, 001 and anatase-101, 001 surfaces'. Molecular Physics, 109 (13):1649-1656. [Details] | |||||||||
| R. Long and N.J. English; (2011) 'Electronic Structures of cation-codoped TiO2 for visible-light photocatalyst applications from hybrid density theory functional calculations'. Applied Physics Letters, 98 . [Details] | |||||||||
| N.J. English and J.S. Tse; (2011) 'Dynamical Properties of Hydrogen Sulphide Motion in its Clathrate Hydrate from Ab Initio and Classical Molecular Dynamics'. Journal of Physical Chemistry A, 115 (23):6266-6232. [Details] | |||||||||
| R. Long, N.J. English and D.A. Mooney; (2010) 'Electronic structures of N- and C-doped NiO from first-principles calculations'. Physics Letters A, 374 :1184-1187. [Details] | |||||||||
| R. Long and N.J. English; (2010) 'Synergistic effects on band gap-narrowing in titania by codoping from first-principles calculations'. Chemistry of Materials, 22 (5):1616-1623. [Details] | |||||||||
| N.J. English and J.S. Tse; (2010) 'Guest and host contributions towards thermal conduction in various polymorphs of methane hydrate'. computational materials science, 49 :S176-S180. [Details] | |||||||||
| R. Long and N.J. English; (2010) 'Density Functional Theory Studies of Doping in Titania'. Molecular Simulation, 36 (7&8):618-632. [Details] | |||||||||
| N.J. English and J.S. Tse; (2010) 'Perspectives on Hydrate Thermal Conductivity'. Energies, 3 :1934-1942. [Details] | |||||||||
| N.J. English, J.S. Tse and R. Gallagher; (2010) 'Thermal conductivity in amorphous ices from molecular dynamics'. Physical Review B, 82 (9). [Details] | |||||||||
| English, N., Solomentsev, G. and Mooney, D.; (2010) 'Hydrogen bond perturbation in hen egg white lysozyme by external electromagnetic fields: A nonequilibrium molecular dynamics study'. The Journal of chemical physics, 133 (23). [DOI] [Details] | |||||||||
| N.J. English, D.A. Mooney and S.W. O¿Brien; (2010) 'Electrical conductivity and dipolar relaxation of binary dimethylimidazolium chloride-water solutions: a molecular dynamics study'. Journal of Molecular Liquids, . [Details] | |||||||||
| R. Long and N.J. English; (2010) 'Electronic Properties of F/Zr Co-doped anatase TiO2 photocatalysts from GGA+U calculations'. Chemical Physics Letters, 498 :338-344. [Details] | |||||||||
| R. Long and N.J. English; (2010) 'Electronic structure and origin of visible-light activity of C-doped cubic In2O3 from first-principles calculations'. Journal of Physical Chemistry C, 114 (32):13942-13946. [Details] | |||||||||
| R. Long and N.J. English; (2010) 'First-principles calculation of synergistic (N, P) codoping effects on the visible-light photocatalytic activity of anatase TiO2'. Journal of Physical Chemistry C, 114 (27):11984-11990. [Details] | |||||||||
| R. Long and N.J. English; (2010) 'First-principles calculation of electronic structure of V-doped anatase TiO2'. Chemphyschem : a European journal of chemical physics and physical chemistry, 11 (12):2606-2611. [Details] | |||||||||
| R. Long and N.J. English; (2009) 'Band gap engineering of (N, Ta)-codoped TiO2: A first-principles calculation'. Chemical Physics Letters, 478 (4-6):175-179. [Details] | |||||||||
| N.J. English and G.M. Phelan; (2009) 'Molecular dynamics study of thermal-driven methane hydrate dissociation'. Journal of Chemical Physics, 131 (7). [Details] | |||||||||
| R. Long, N.J. English and Y. Dai; (2009) 'First-Principles Study of S Doping at the Rutile TiO2 (110) Surface'. Journal of Physical Chemistry, 113 (40):17464-17470. [Details] | |||||||||
| J.-A. Garate, N.J. English and J.M.D. MacElroy; (2009) 'Static and alternating electric field and distance-dependent effects on carbon nanotube-assisted water self-diffusion across lipid membranes'. Journal of Chemical Physics, 131 (11). [Details] | |||||||||
| R. Long and N.J. English; (2009) 'First-principles calculation of nitrogen-tungsten codoping effects on the band structure of anatase-titania'. Applied Physics Letters, 94 (13). [Details] | |||||||||
| N.J. English and J.S. Tse; (2009) 'Mechanisms for thermal conduction in methane hydrate'. Physical Review Letters, 103 (1). [Details] | |||||||||
| N.J. English and W.F. Long; (2009) 'Estimation of zeta potentials of titania nanoparticles by molecular simulation'. Physica A, 388 (19):4091-4096. [Details] | |||||||||
| N.J. English, G.Y. Solomentsev and P. O¿Brien; (2009) 'Non-equilibrium molecular dynamics study of electric and low-frequency microwave fields on hen egg white lysozyme'. Journal of Chemical Physics, 131 (3). [Details] | |||||||||
| R. Long and N.J. English; (2009) 'Density functional theory description of the mechanism of ferromagnetism in nitrogen-doped SnO2'. Physics Letters A, 374 :319-322. [Details] | |||||||||
| Garate, J.-A., English, N.J., MacElroy, J.M.D.; (2009) 'Carbon nanotube assisted water self-diffusion across lipid membranes in the absence and presence of electric fields'. Molecular Simulation, 35 :3-12. [Details] | |||||||||
| Garate, J.-A., English, N.J., MacElroy, J.M.D.; (2009) 'Static and alternating electric field and distance-dependent effects on carbon nanotube-assisted water self-diffusion across lipid membranes'. Journal of Chemical Physics, 131 (11). [Details] | |||||||||
| English, N.J. and Mooney, D.A.; (2009) 'Electromagnetic field effects on binary dimethylimidazolium-based ionic liquid/water solutions'. Physical Chemistry Chemical Physics, 11 (41):9370-9374. [DOI] [Details] | |||||||||
| English, N.J. and Mooney, D.A.; (2009) 'Very Different Responses to Electromagnetic Fields in Binary Ionic Liquid-Water Solutions'. Journal of Physical Chemistry B, 113 (30):10128-10134. [DOI] [Details] | |||||||||
| N.J. English and D.A. Mooney; (2009) 'Electromagnetic field effects on binary dimethylimidazolium-based ionic liquid/water solutions'. Physical Chemistry Chemical Physics, 11 (41):9370-9374. [Details] | |||||||||
| N.J. English and D.A. Mooney; (2009) 'Very different responses to electromagnetic fields in binary ionic liquid-water solutions'. Journal of Physical Chemistry B, 113 (30):10128-10134. [Details] | |||||||||
| R. Long and N.J. English; (2009) 'Energetic and electronic properties of P doping at the rutile TiO2 (110) surface from first-principles'. Journal of Physical Chemistry, 113 (21):9423-9430. [Details] | |||||||||
| R. Long and N.J. English; (2009) 'Synergistic Effects of Bi/S Co-doping on Visible Light-Activated Anatase TiO2 Photocatalysts from First-Principles'. Journal of Physical Chemistry, 113 (19):8373-8377. [Details] | |||||||||
| J.-A. Garate, N.J. English and J.M.D. MacElroy; (2009) 'Carbon nanotube assisted water self-diffusion across lipid membranes in the absence and presence of electric fields'. Molecular Simulation, 35 (1-2):3-12. [Details] | |||||||||
| N.J. English, J.S. Tse and D.J. Carey; (2009) 'Mechanisms for Thermal Conduction in Various Polymorphs of Methane Hydrate'. Physical Review B, 80 (13). [Details] | |||||||||
| R. Long and N.J. English; (2009) 'Magnetic properties of first-row element-doped ZnS semiconductors: a density functional theory investigation'. Physical Review B, 80 (11). [Details] | |||||||||
| N.J. English; (2008) 'Effects of electrostatics techniques on the estimation of thermal conductivity via equilibrium molecular dynamics simulation: application to methane hydrates'. Molecular Physics, 106 (15):1887-1898. [Details] | |||||||||
| English, N.J. ; (2007) 'Calculation of Binding Affinities of HIV-1 RT and β-Secretase Inhibitors Using the Linear Interaction Energy Method with Explicit and Continuum Solvation Approaches'. Journal of Molecular Modeling, 13 (10):1081-1097. [Details] | |||||||||
| English, N.J. and D.A. Mooney; (2007) 'Denaturation of hen egg white lysozyme in electromagnetic fields: a molecular dynamics study'. Journal of Chemical Physics, 126 (9):091105-091105. [Details] | |||||||||
| Taylor, C.E., D.D. Link and N.J. English; (2007) 'Methane Hydrate Research at NETL: Research to Make Methane Production from Hydrates a Reality'. J. Petrol. Sci. & Eng, 56 (1-3):186-191. [Details] | |||||||||
| Rosenbaum, E.J., English, N.J., Johnson, J.K., Shaw, D.W. and R.P. Warzinski; (2007) 'Thermal Conductivity of Methane Hydrate from Experiment and Molecular Simulation'. Journal of Physical Chemistry B, 111 (46):13194-13205. [Details] | |||||||||
| English, N.J., D.C. Sorescu and J. K. Johnson; (2006) 'Effects of an external electromagnetic field on rutile TiO2: a molecular dynamics study'. J. Phys. Chem. Solids, 67 :1399-1409. [Details] | |||||||||
| English, N.J.; (2006) 'Molecular Dynamics Simulations of Microwave Effects on Water Using Different Long-Range Electrostatics Methodologies'. Molecular Physics, 104 (2):243-253. [Details] | |||||||||
| English, N.J., J.K. Johnson and C.E. Taylor; (2005) 'Molecular Dynamics Simulations of Methane Hydrate Dissociation'. Journal of Chemical Physics, 123 (24). [Details] | |||||||||
| English, N.J.; (2005) 'Molecular Dynamics Simulations of Liquid Water using Various Long-Range Electrostatics Techniques'. Molecular Physics, 103 (14):1945-1960. [Details] | |||||||||
| English, N.J. and J.M.D. MacElroy; (2004) 'Theoretical Studies of the Kinetics of Methane Hydrate Crystallization in External Electromagnetic Fields'. Journal of Chemical Physics, 120 (21):10247-10256. [Details] | |||||||||
| English, N.J. and J.M.D. MacElroy; (2003) 'Hydrogen Bonding and Molecular Mobility in Liquid Water in External Electromagnetic Fields'. Journal of Chemical Physics, 119 (22):11806-11813. [Details] | |||||||||
| English, N.J. and J.M.D. MacElroy; (2003) 'Structural and Dynamical Properties of Methane Clathrate Hydrates'. Journal of Computational Chemistry, 24 (13):1569-1581. [Details] | |||||||||
| English, N.J. and J.M.D. MacElroy; (2003) 'Molecular Dynamics Simulations of Microwave Heating of Water'. Journal of Chemical Physics, 118 (4):1589-1592. [Details] | |||||||||
| English, N.J. and J.M.D. MacElroy; (2002) 'Atomistic Simulations of Liquid Water using Lekner Electrostatics'. Molecular Physics, 100 (23):3753-3769. [Details] | |||||||||
| English, N.J. and D.G. Carroll,; (2001) 'Prediction of Henry's Law Constants by a Quantitative Structure Property Relationship and Neural Networks'. J. Chem. Inf. Comp. Sci, 41 (5):1150-1161. [Details] | |||||||||
| Hide | |||||||||
Conference Publications
| N.J. English and J.S. Tse (2012) Density Fluctuation in Water and Pressure-Induced Amorphization of Ice Japan-Russia International Workshop MSSMBS [Details] |
| K.A. McDonnell, N.J. English, C.P. Stallard, M. Rahman, D.P. Dowling (2012) ¿ Preparation, Characterisation and Evaluation of Nano-structured Micro-blasted TiO2 Coatings Nanosmat Conference [Details] |
| N.J. English and J.S. Tse (2012) Pressure-induced amorphisation of methane hydrate Telluride Workshop on the Microscopic Description of Gas Clathrates [Details] |
| N.J. English, P. Gorman, S. Bandaru and J.M.D. MacElroy (2012) Molecular Modelling of Hydrogen Storage Solar Fuels Workshop: Potential, Opportunities and Challenges [Details] |
| K. A. McDonnell, M. Rahman, N.J. English, D.P. Dowling (2012) The Evaluation of a Microblasting Technique for the Deposition of TiO2 Coatings onto Metal, Glass and Polymer Substrates Smart Surfaces 2012 Conference [Details] |
| J.-A. Garate, N.J. English, A.J. Singh, K. Ryan, J.M.D. MacElroy and D.A. Mooney (2012) ¿ Electrophoretic deposition of poly(3-decylthiophene) onto gold-mounted cadmium selenide nanorods Smart Surfaces 2012 Conference [Details] | |||||||||
| P. Dev, S.A. Agrawal and N.J. English (2012) Assessing the fitness of various exchange-correlation functionals for TD-DFT studies of charge-transfer excitations in organic dyes Smart Surfaces 2012 Conference [Details] | |||||||||
| M.K. Awad, T.A. Fayed, S.H. Etio, M.M. El-Hendawy and N.J. English (2012) ¿ Effect of Aromatic Ring Size on the Photophysics and Photochemistry of Styrylbenzothiazole Smart Surfaces 2012 Conference [Details] | |||||||||
| P. Dev, S.A. Agrawal and N.J. English (2012) Assessing the fitness of various exchange-correlation functionals for TD-DFT studies of charge-transfer excitations in organic dyes American Physical Society Spring Meeting [Details] | |||||||||
| N.J. English and J.S. Tse (2012) Influence of pressure on methane hydrates Nanoscale Simulators in Ireland Annual Meeting [Details] | |||||||||
| M.M. El-Hendawy, N.J. English and D.A. Mooney (2012) ¿ Comparative Studies for Evaluation of CO2 fixation in the cavity of the Rubisco Enzyme using QM, QM/MM and Linear-Scaling DFT methods Nanoscale Simulators in Ireland Annual Meeting [Details] | |||||||||
| M. Rahman, A. Petronilho, M. Albrecht, S. Bandaru, N.J English and J.M.D. MacElroy (2012) Perspectives on solar energy conversion Electrochem 2012 [Details] | |||||||||
| K.A. McDonnell, N.J. English, M. Rahman and D. Dowling (2011) ¿ Influence of Heat Treatments and Doping on the Properties of Titanium used in Solar Hydrogen Production European Photovoltaic Solar Energy Conference [Details] | |||||||||
| N.J. English (2011) Molecular Dynamics Study of Clathrate Hydrate Dissociation International Conference on Gas Hydrates [Details] | |||||||||
| R. Long and N.J. English; (2011) Band gap engineering on TiO2 from first-principle calculations China Physics Annual Meeting Hangzhou, China, , 14-SEP-11 - 19-SEP-11 [Details] | |||||||||
| K.A. McDonnell, Binh H. Q.Dang, M Rahman, N.J. English, D Dowling; (2011) Influence of Heat Treatments and Doping on the Properties of Titania used in Solar Hydrogen Production European Photovoltaic Solar Energy Conference Hamburg, , 05-SEP-11 - 09-SEP-11 [Details] | |||||||||
| M.M. El-Hendawy; (2011) Possible Mechanisms for Atmospheric CO2 Fixation in the Cavity of Dinuclear Zinc (II) Octa-Azacryptates International Conference on Carbon Dioxide Utilisation Dijon, , 27-JUL-11 - 30-JUL-11 [Details] | |||||||||
| G.Y. Solomentsev, N.J. English and D.A. Mooney; (2011) Denaturation of hen egg white lysozyme in electromagnetic fields: a molecular dynamics study ACAM-CECAM Workshop on Molecular Simulation in Electric and Electromagnetic Fields UCD, Dublin, , 19-MAY-11 - 21-MAY-11 [Details] | |||||||||
| G.Y. Solomentsev, N.J. English and P. O'Brien; (2011) Non-equilibrium MD study of electric and low-frequency microwave fields on hen egg white lysozyme ACAM-CECAM Workshop on Molecular Simulation in Electric and Electromagnetic Fields UCD, Dublin, , 19-MAY-10 - 21-MAY-11 [Details] | |||||||||
| R. Long and N.J. English; (2011) Synergistic effects on band gap-narrowing in titania by doping from first-principles calculations: density functional theory studies Materials Research Society Spring Meeting San Francisco, , 25-APR-11 - 29-APR-11 [Details] | |||||||||
| N.J. English; (2011) Molecular Dynamics Study of Clathrate Hydrate Dissociation International Conference on Gas Hydrates Edinburgh, , 17-JUL-11 - 21-JUL-11 [Details] | |||||||||
| N.J. English and J.S. Tse; (2010) Mechanisms of Thermal Conduction in Various Polymorphs of Methane Hydrates International Conference on Physics and Chemistry of Ice Sapporo, , 05-SEP-10 - 10-SEP-10 [Details] | |||||||||
| K. McDonnell, N.J. English and D. Dowling; (2010) Influence of Chromium Doping on the Optical Properties of TiO2 Coatings Materials Ireland Conference Dublin, , 13-DEC-10 - 14-DEC-10 [Details] | |||||||||
| Agrawal, S., English, N., Mooney, D.A., JMacElroy, J.M.D.; (2010) Titanocene and organic dye adsorption studies on TiO2 surface using ab-initio and Molecular Dynamics Approaches Light Harvesting and Solar Energy Conversion Stuttgart, Germany, [Details] | |||||||||
| Kavathekar, R., English, N., Mooney, D.A., MacElroy, J.M.D.; (2010) Classical Simulation of TiO2 Water Interface Light Harvesting and Solar Energy Conversion Stuttgart, Germany, [Details] | |||||||||
| N.J. English and J.S. Tse; (2010) Thermal Conductivity in Amorphous Ices from Molecular Dynamics International Conference on Physics and Chemistry of Ice Sapporo, , 05-SEP-10 - 10-SEP-10 [Details] | |||||||||
| N.J. English and J.S. Tse; (2010) Mechanisms of Thermal Conduction in Various Polymorphs of Methane Hydrates ACAM-CECAM Workshop on Molecular Simulation of Clathrate Hydrates UCD, Dublin, , 06-MAY-10 - 08-MAY-10 [Details] | |||||||||
| R. Kavethekar, N.J. English, J.M.D. MacElroy; (2010) Classical Molecular Simulation of the Titania-Water Interface International Bunsen Discussion Meeting on Light Harvesting and Solar Energy Conversion Stuttgart, , 29-MAR-10 - 31-MAR-10 [Details] | |||||||||
| S.A. Agarwal, N.J. English, K.R. Thampi, J.M.D. MacElroy, D.A. Mooney; (2010) ¿ Titanocene and organic dye adsorption studies on the TiO2 surface using ab-initio and molecular dynamics approaches International Bunsen Discussion Meeting on Light Harvesting and Solar Energy Conversion Stuttgart, , 29-MAR-10 - 31-MAR-10 [Details] | |||||||||
| R. Long and N.J. English; (2010) ¿ Synergistic effects of metal-nonmetal codoping on visible light activated photocatalyst of anatase titania: an ab initio calculation International Conference on Powering a Greener Future: Nanomaterials and Solar Energy Conversion Cairo, , 13-FEB-10 - 17-FEB-10 [Details] | |||||||||
| N.J. English and J.S. Tse; (2009) Resonance Scattering of Phonon Glass-Like Thermal Conductivity in Crystalline Solids Conference of Asian Consortium on Computational Materials Science Hanoi, , 07-SEP-09 - 11-SEP-09 [Details] | |||||||||
| R. Long and N.J. English; (2009) Density Functional Theory Studies of Doping in Both Bulk- and Surface-State Titania American Institute of Chemical Engineers Annual Meeting Nashville, , 08-NOV-09 - 13-NOV-09 [Details] | |||||||||
| N.J. English and J.S. Tse; (2009) Mechanisms of Thermal Conduction in Methane Hydrates American Institute of Chemical Engineers Annual Meeting Nashville, , 08-NOV-09 - 13-NOV-09 [Details] | |||||||||
| R. Long and N.J. English; (2009) Density Functional Theory Studies of Doping in Both Bulk- and Surface-State Titania American Chemical Society Autumn Meeting Washington, D.C, , 16-AUG-09 - 20-AUG-09 [Details] | |||||||||
| R. Long and N.J. English; (2009) Density functional theory description of the mechanism of ferromagnetism in boron-doped SnO2 International Conference on Magnetism 2009 Karlsruhe, , 26-JUL-09 - 30-JUL-09 [Details] | |||||||||
| N.J. English and D.A. Mooney; (2009) Molecular Simulation Studies of E/m Field Effects on Ionic Liquid-Water Mixtures ACAM-CECAM Meeting on Molecular Simulation of Ionic Liquids Univ. College Dublin, , 06-AUG-09 - 08-AUG-09 [Details] | |||||||||
| J.A. Garate, N.J. English and D.A. Mooney; (2009) Carbon Nanotube Assisted Water Self-Diffusion Across Lipid Membranes in the Absence and Presence of Electric and Electromagnetic Fields ACAM-CECAM Workshop on HPC and Towards Microscale Simulation Univ. College Dublin, , 14-OCT-09 - 16-OCT-09 [Details] | |||||||||
| R. Long and N.J. English; (2009) Magnetic properties of first-row element-doped ZnS semiconductors from first-principles calculations International Conference on Multi-Functional Materials and Structures Qingdao, China, , 09-OCT-09 - 12-OCT-09 [Details] | |||||||||
| N.J. English and G.Y. Solomentsev; (2009) Studies of Hydrogen Bond Lifetimes and Energetics in Proteins Chemical Computing Group European User Group Meeting (invited) Basel, , 29-SEP-09 - 30-SEP-09 [Details] | |||||||||
| S. Agarwal, N.J. English, J.M.D. MacElroy and D.A. Mooney; (2009) Titanocene Adsorption Studies on Rutile (110) Surface using Ab-initio and Molecular Dynamics Approaches ACAM-CECAM Workshop on Computer Simulation of Metal Oxides Trinity College Dublin, , 09-SEP-09 - 11-SEP-09 [Details] | |||||||||
| R. Kavethekar, N.J. English, J.M.D. MacElroy and D.A. Mooney; (2009) Classical Simulation of the Titania-Water Interface ACAM-CECAM Workshop on Computer Simulation of Metal Oxides Trinity College Dublin, , 09-SEP-09 - 11-SEP-09 [Details] | |||||||||
| R. Long and N.J. English; (2009) Density Functional Theory Studies of Doping in Both Bulk- and Surface-State Titania ACAM-CECAM Workshop on Computer Simulation of Metal Oxides Trinity College Dublin, , 09-SEP-09 - 11-SEP-09 [Details] | |||||||||
| N.J. English; (2009) MD Study of Thermal-Driven Methane Hydrate Dissociation ACAM-CECAM Workshop on HPC and Towards Microscale Simulation Univ. College Dublin, , 14-OCT-09 - 16-OCT-09 [Details] | |||||||||
| J.A. Garate, N.J. English and J.M.D. MacElroy; (2009) Carbon Nanotube Assisted Water Self-Diffusion Across Lipid Membranes in the Absence and Presence of Electric and Electromagnetic Fields CECAM Workshop on Simulation Approaches to Problems in Molecular and Cell Biology San Sebastian, , 31-AUG-09 - 05-SEP-09 [Details] | |||||||||
| N.J. English; (2009) Molecular Simulation Studies of Materials for Solar Energy Applications World Congress of Chemical Engineering Montreal, , 23-AUG-09 - 27-AUG-09 [Details] | |||||||||
| N.J. English; (2009) Remote teaching of molecular simulation courses by videoconferencing and online delivery American Chemical Society Autumn meeting Washington, D.C, , 16-AUG-09 - 20-AUG-09 [Details] | |||||||||
| N.J. English; (2009) The role of audiovisual technology in remote engineering/science education: case study of videoconferencing and online delivery European Society for Engineering Education (SEFI) Annual Meeting Rotterdam, , 01-JUL-09 - 03-JUL-09 [Details] | |||||||||
| N.J. English, G.Y. Solomentsev and P. O'Brien; (2009) Non-Equilibrium MD Study of Electric and Low-Frequency Microwave Fields on Hen Egg White Lysozyme American Chemical Society Autumn Meeting Washington, D.C, , 16-AUG-09 - 20-AUG-09 [Details] | |||||||||
| N.J. English and D.A. Mooney; (2009) Molecular Simulation Studies of E/m Field Effects on Neat Ionic Liquids ACAM-CECAM Meeting on Molecular Simulation of Ionic Liquids Univ. College Dublin, , 06-APR-09 - 08-APR-09 [Details] | |||||||||
| R. Kavethekar, N.J. English, J.M.D. MacElroy and D.A. Mooney; (2009) Classical Simulation of the Titania-Water Interface ACAM-CECAM Workshop on HPC and Towards Microscale Simulation Univ. College Dublin, , 14-OCT-09 - 16-OCT-09 [Details] | |||||||||
| N.J. English, J.S. Tse; (2008) Molecular Dynamics Study of Thermal Conduction in Methane Hydrates 6th International Conference on Gas Hydrates Vancouver, , 06-JUL-08 - 10-JUL-08 [Details] | |||||||||
| MacElroy, J.M.D., Garate, J.-A., English, N.J.; (2008) The Influence of Electric and Electromagnetic Fields on Water Self-diffusion within Carbon Nanotubes Implanted in Lipid Membranes AIChE National Annual Meeting, Philadelphia, Pennsylvania [Details] | |||||||||
| N.J. English and J.S. Tse; (2008) Molecular Dynamics Study of Thermal Conduction in Methane Hydrates (invited) 1st Telluride Workshop on Clathrate Hydrates Telluride, Colorado, , 02-AUG-08 - 08-AUG-08 [Details] | |||||||||
| J.A. Garate, N.J. English and J.M.D. MacElroy; (2008) ¿ Carbon Nanotube Assisted Water Self-Diffusion Across Lipid Membranes in the Absence and Presence of Electric and Electromagnetic Fields American Institute of Chemical Engineers Annual Meeting Philadelphia, , 16-NOV-08 - 21-NOV-08 [Details] | |||||||||
| N.J. English, R.P. Warzinski, E.J. Rosembaum, E.M. Myshakin, I.K. Gamwo, H. Jiang, K.D. Jordan, D.W. Shaw; (2008) Thermal Properties of Methane Hydrate by Experiment and Modelling and Impacts Upon Technology 6th International Conference on Gas Hydrates Vancouver, , 06-JUL-08 - 10-JUL-08 [Details] | |||||||||
| N.J. English; (2008) Research experiences and opportunities for undergraduates in classical computer molecular simulation studies: case studies International Conference on Engineering Education (ICEE 2008) Pecs-Budapest, , 28-JUL-08 - 01-AUG-08 [Details] | |||||||||
| English, N.J.; (2007) Denaturation of hen egg white lysozyme in electromagnetic fields: an MD study Spring Meeting of the ACS Chicago, Illinois, , 25-MAR-07 - 29-MAR-07 [Details] | |||||||||
| N.J. English; (2007) Denaturation of hen egg white lysozyme in electromagnetic fields: an MD study NSTI Nanotech Conference 2007 Santa Clara, , 20-MAY-07 - 24-MAY-07 [Details] | |||||||||
| N.J. English; (2007) Denaturation of hen egg white lysozyme in electromagnetic fields: an MD study International Conference on Computational Physics, 2007 Brussels, , 04-SEP-07 - 08-SEP-07 [Details] | |||||||||
| N.J. English, D.A. Mooney; (2007) Molecular Simulation of Electromagnetic Field Effects on Ionic Liquids 2007 AIChE Annual Meeting Salt Lake City, , 12-NOV-07 - 15-NOV-07 [Details] | |||||||||
| N.J. English; (2007) Denaturation of hen egg white lysozyme in electromagnetic fields: an MD study Chemical Computing Group European User Group Meeting (invited) Berlin, , 08-OCT-07 - 09-OCT-07 [Details] | |||||||||
| English, N.J.; (2006) Application of the Linear Interaction Energy Method in Drug Design SMI Drug Design Conference V London, UK, , 27-MAR-06 - 28-MAR-06 [Details] | |||||||||
| N.J. English; (2006) Application of the Linear Interaction Energy Method in Drug Design Methods of Molecular Simulation 2006 Heidelberg, , 20-SEP-06 - 22-SEP-06 [Details] | |||||||||
| N.J. English; (2006) Application of the Linear Interaction Energy Method in Drug Design Chemical Computing Group North American User Group Meeting Montreal, , 24-JUN-06 - 25-JUN-06 [Details] | |||||||||
| N.J. English; (2005) Application of the Linear Interaction Energy Method Chemical Computing Group European User Group Meeting Cologne, , 19-SEP-09 - 20-SEP-09 [Details] | |||||||||
| N.J. English, D.C. Sorescu and J.K. Johnson; (2005) Molecular Dynamics Study of the Effects of Microwaves on TiO2 Mobility Materials Science and Technology Conference 2005 Pittsburgh, , 25-SEP-09 - 28-SEP-09 [Details] | |||||||||
| English, N.J.; (2005) Molecular Dynamics Simulations of Methane Hydrates at NETL Spring Meeting of the ACS San Diego CA., U.S.A, , 13-MAR-05 - 17-MAR-05 [Details] | |||||||||
| C.E. Taylor, J.D. Leske and N.J. English; (2004) NETL¿s Methane Hydrate Research American Association of Petroleum Geologists Hedberg Research Conference Vancouver, , 12-SEP-04 - 16-SEP-04 [Details] | |||||||||
| English, N.J.; (2004) Molecular Dynamics Simulations of Clathrate Hydrate Dissociation Annual Meeting of the AIChE Austin, , 07-NOV-04 - 12-NOV-04 [Details] | |||||||||
| English, N.J.; (2003) Theoretical Studies of the Kinetics of Methane Hydrate Crystallisation in External Electromagnetic Fields Annual Meeting of the AIChE San Francisco, USA, , 16-NOV-03 - 21-NOV-03 [Details] | |||||||||
| N.J. English and J.M.D. MacElroy; (2002) Atomistic Simulations of the Structural and Dynamical Properties of Liquid Water Annual Symposium of the Irish Society of Scientific and Engineering Computation Univ. College Galway, , 24-MAY-02 - 25-MAY-02 [Details] | |||||||||
| Hide | |||||||||
Honours and Awards
| Year: 2007. Title: Ireland Canada University Foundation |
| Year: 2004. Title: Membership of the American Institute of Chemical Engineers |
| Year: 2000. Title: Scholarship award from International Society of Pharmaceutical Engineers (Irish Branch) for Fourth Year Research Project on Prediction of Henry¿s Constants |
| Year: 2000. Title: Associate membership of the Institution of Chemical Engineers |
| Year: 2000. Title: First Place Scholarship Award in Chemical Engineering B.E. at UCD |
| Year: 2000. Title: Gold Medal from UCD Engineering Graduates Association for Fourth Year Research Project on the Prediction of Henry¿s Constants |
|||||||||
| Year: 1999. Title: First Place Scholarship Award in Chemical Engineering B.E. at UCD |
|||||||||
| Year: 1999. Title: Ferdinand de Lesseps Gold Medal, HEA Advanced Engineering French Certificate for Third Year Engineering, UCD |
|||||||||
| Year: 1998. Title: First Place Scholarship Award in Chemical Engineering B.E. at UCD |
|||||||||
| Year: 1997. Title: First Place Scholarship Award in Chemical Engineering B.E. at UCD |
|||||||||
| Hide | |||||||||
Education
| Year 2000 Institution: University College Dublin Qualification: BE Subject: |
| Year 2004 Institution: University College Dublin Qualification: PhD Subject: |
Languages
| Irish: |
| French: |
Other Activities
| To date, I have given 34 lectures, which comprised 18 conference contributions, 9 invited seminars and 7 presentations to industrial companies. |
| Computer Skills • Programming languages: Fortran-77/90/95, SVL (proprietary CCG language) • Experience of (cluster) computer architectures, using Unix, Linux or Windows • Experience of large-scale commercial engineering and scientific code development • Knowledge of parallel programming approaches and MPI • Software Packages: MOE, SPSS Neural Connection, Hyperchem |
| Continuing Professional Development • Course on computational nanoscience (NSTI Nanotech '07, 20th May 2007, Santa Clara) • ICHEC course on parallel programming, MPI and OpenMP (12-16th May 2007, UCD) • Attended IChemE chartership event (6th Nov. 2006, London) (application under preparation) • Course on computational modelling of microwave heating (AIChE '04, 7th Nov. 2004, Austin) |