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• Computational evaluation of copper-based metal-organic nanosheets for light gas separations

  Kallo, M., Duren, T. & Lennox, M., 10 Apr 2019.

  Research output: Contribution to conference › Poster

• Computational evaluation of copper-based metal-organic nanosheets for light gas separations

  Kallo, M., Duren, T. & Lennox, M., 13 Dec 2018.

  Research output: Contribution to conference › Poster

• Computational evaluation of the impact of incorporated nitrogen and oxygen heteroatoms on the affinity of polyaromatic ligands for carbon dioxide and methane in metal–organic frameworks

  Henley, A., Lennox, M. J., Easun, T. L., Moreau, F., Schröder, M. & Besley, E., 8 Dec 2016, In: Journal of Physical Chemistry C. 120, 48, p. 27342-27348 7 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File
  7 Citations (SciVal)

  145 Downloads (Pure)

• Computational exploration of α-lactone rearrangements and the cyclic halonium zwitterion from bromination of acrylate anion in water: implicit vs. explicit solvation

  Glancy, J. H., Lewis, M. & Williams, I., 26 Mar 2021, In: Tetrahedron. 84, 7 p., 131989.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File
  11 Downloads (Pure)

• Computational extrapolation of turbine sealing effectiveness from test rig to engine conditions

  Teuber, R., Li, Y. S., Maltson, J., Wilson, M., Lock, G. D. & Owen, J. M., 1 Mar 2013, In: Proceedings of the Institution of Mechanical Engineers, Part A: Journal of Power and Energy. 227, 2, p. 167-178 12 p.

  Research output: Contribution to journal › Article › peer-review
  27 Citations (SciVal)

• Computational extrapolation of turbine sealing effectiveness from test rig to engine conditions

  Teuber, R., Li, Y. S., Maltson, J., Wilson, M., Lock, G. & Owen, J. M., 2012, p. 1971-1982. 12 p.

  Research output: Contribution to conference › Paper › peer-review
  4 Citations (SciVal)

• Computational Fluid Dynamics Analysis of the RealHeart™ demonstrates low power consumption and low thrombosis risk

  McCree, D., Pieper, I. L., Pahlm, F., Najar, A. & Fraser, K., 2 Nov 2018.

  Research output: Contribution to conference › Other › peer-review

• Computational Fluid Dynamics Analysis of the RealHeart™ demonstrates low power consumption and low thrombosis risk

  Pieper, I. L., McCree, D., Pahlm, F., Najar, A. & Fraser, K., 30 Sept 2019, In: Artificial Organs. 43, 9, e195.

  Research output: Contribution to journal › Meeting abstract › peer-review

• Computational fluid dynamics analysis of thrombosis potential in left ventricular assist device drainage cannulae

  Fraser, K. H., Zhang, T., Taskin, M. E., Griffith, B. P. & Wu, Z. J., May 2010, In: ASAIO journal (American Society for Artificial Internal Organs: 1992). 56, 3, p. 157-163

  Research output: Contribution to journal › Article › peer-review
  42 Citations (SciVal)

• Computational fluid dynamics for the prediction of temperature profiles and hygienic design in the food industry

  Asteriadou, K., Hasting, A. P. M., Bird, M. R. & Melrose, J., 2006, In: Food and Bioproducts Processing. 84, C2, p. 157-163 7 p.

  Research output: Contribution to journal › Article › peer-review

  33 Citations (SciVal)

• Computational fluid dynamics simulation of two-phase flow and dissolved oxygen in a wastewater treatment oxidation ditch

  Matko, T., Chew, J., Wenk, J., Chang, J. & Hofman, J., 31 Jan 2021, In: Process Safety and Environmental Protection. 145, p. 340-353 14 p.

  Research output: Contribution to journal › Article › peer-review
  13 Citations (SciVal)

• Computational fluid dynamics simulations of flow and heat transfer in a preswirl system: influence of rotating-stationary domain interface

  Karnahl, J., Von Wolfersdorf, J., Tham, K. M., Wilson, M. & Lock, G., May 2012, In: Journal of Engineering for Gas Turbines and Power: Transactions of the ASME. 134, 5, 11 p., 052502.

  Research output: Contribution to journal › Article › peer-review
  12 Citations (SciVal)

• Computational fluid dynamics study of deposition in powder processors

  MacGregor, S. A., Newnes, L. B., Li, M., Staniforth, J. N., Tobyn, M. J., Kay, G. R., Horrill, M. D., Lamming, R. C. & Hajee, D. W., 1 Dec 1999, In: ASME Publications - Pvp. 397 II, p. 213-218 6 p.

  Research output: Contribution to journal › Conference article › peer-review

• Computational Fluorescence Suppression in Shifted Excitation Raman Spectroscopy

  Jenkins, N. C., Ehrlich, K., Kufcsak, A., Yerolatsitis, S., Fernandes, S., Young, I., Hamilton, K., Wood, H. A. C., Quinn, T., Young, V., Akram, A. R., Stone, J. M., Thomson, R. R., Finlayson, K., Dhaliwal, K. & Seth, S., 10 Feb 2023, (E-pub ahead of print) In: IEEE Transactions on biomedical engineering. p. 1-18 18 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File
  39 Downloads (Pure)

• Computational form-fitting with non-standard structural elements

  Bukauskas, A., Shepherd, P., Walker, P., Sharma, B. & Bregulla, J., 1 Jan 2017, p. 121-122. 2 p.

  Research output: Contribution to conference › Paper › peer-review

  2 Citations (SciVal)

• Computational Generation of Hybrid Façades for a Focal Context: The case of Naser-Khosrow Street in Tehran

  Zolghadrasli, N., Hadighi, M. & Costa, E., 2021, eCAADe 39 (2021) Towards a New, Configurable Architecture. Stojakovic, V. & Tepavcevic, B. (eds.). Education and research in Computer Aided Architectural Design in Europe, Vol. 2. p. 333-340 8 p. (Proceedings of the International Conference on Education and Research in Computer Aided Architectural Design in Europe; vol. 2).

  Research output: Chapter or section in a book/report/conference proceeding › Chapter in a published conference proceeding

  Open Access

• Computational grid generation for the design of free-form shells with complex boundary conditions

  Li, T., Ye, J., Shepherd, P., Wu, H. & Gao, B., 31 May 2019, In: Journal of Computing in Civil Engineering. 33, 3, 000828.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File
  9 Citations (SciVal)

  93 Downloads (Pure)

• Computational Grid Generation on the Design of Freeform Shells with Complex Boundary Conditions

  Ye, J., Li, T., Shepherd, P. & Gao, B., 24 Jul 2018.

  Research output: Contribution to conference › Paper › peer-review

• Computational Implementation of a Tool for Generative Design of High-rise Residential Building Facades

  Guo, F., Castro e Costa, E., Duarte, J. P. & Nazarian, S., 31 Dec 2019, "Hello, Culture!"  : 18th International Conference, CAAD Futures 2019, Proceedings. Lee, J-H. (ed.). CUMINCAD, p. 564-579 16 p. cf2019_039

  Research output: Chapter or section in a book/report/conference proceeding › Chapter in a published conference proceeding

  Open Access

• Computational information geometry in statistics: foundations

  Anaya-Izquierdo, K., Critchley, F., Marriott, P. & Vos, P., 2013, Geometric Science of Information: First International Conference, Gsi 2013, Paris, France, August 28-30, 2013, Proceedings . Nielsen, F. & Barbaresco, F. (eds.). Berlin, Germany: Springer, Vol. Part IX. p. 311-318 8 p. (Lecture Notes in Computer Science; vol. 8085).

  Research output: Chapter or section in a book/report/conference proceeding › Chapter or section
  6 Citations (SciVal)

• Computational information geometry in statistics: mixture modelling

  Anaya-Izquierdo, K., Critchley, F., Marriott, P. & Vos, P., 2013, Geometric Science of Information: First International Conference, GSI 2013, Paris, France, August 28-30, 2013. Proceedings. Nielsen, F. & Barbaresco, F. (eds.). Berlin, Germany: Springer, Vol. IX. p. 319-326 8 p. (Lecture Notes in Computer Science; vol. 8085).

  Research output: Chapter or section in a book/report/conference proceeding › Chapter or section
  2 Citations (SciVal)

• Computational interpretations of classical reasoning: From the epsilon calculus to stateful programs

  Powell, T., 2019, Mathesis Universalis, Computability and Proof. Centrone, S., Negri, S., Sarikaya, D. & Schuster, P. M. (eds.). Springer International Publishing, p. 255-290 Chapter 14. (Synthese Library; vol. 412).

  Research output: Chapter or section in a book/report/conference proceeding › Chapter or section

• Computational investigation of mechanisms for ring-opening polymerization of epsilon-caprolactone: Evidence for bifunctional catalysis by alcohols

  Buis, N., French, S. A., Ruggiero, G. D., Stengel, B., Tulloch, A. A. D. & Williams, I. H., 2007, In: Journal of Chemical Theory and Computation. 3 Jan-Feb, 1, p. 146-155 10 p.

  Research output: Contribution to journal › Article › peer-review
  22 Citations (SciVal)

• Computational investigation of the effect of α-alkylation on S_N2 reactivity: Acid-catalyzed hydrolysis of alcohols

  Ruggiero, G. D. & Williams, I. H., 1 Apr 2001, In: Journal of the Chemical Society: Perkin Transactions 2. 2, 4, p. 448-458 11 p.

  Research output: Contribution to journal › Article › peer-review
  22 Citations (SciVal)

• Computational layout design optimization of frame structures

  Ye, J., Shepherd, P., He, L., Gilbert, M., Davison, B., Tyas, A., Gondzio, J., Weldeyesus, A. & Fairclough, H., 25 Sept 2017.

  Research output: Contribution to conference › Paper › peer-review

  Open Access

  File
  177 Downloads (Pure)

• Computational load balancing of parallel hydraulic circuit simulations employing variable time step transmission line modelling

  Burton, J. D., Edge, K. A. & Burrows, C. R., May 1993, p. 3-12. 10 p.

  Research output: Contribution to conference › Paper

• Computationally efficient concentration-based model for accurate evaluation of T-junction inlet staggered herringbone micromixers

  Vasilakis, N., Moschou, D. & Prodromakis, T., 1 May 2016, In: Micro and Nano Letters. 11, 5, p. 236-239 4 p.

  Research output: Contribution to journal › Article › peer-review
  11 Citations (SciVal)

• Computationally efficient spatial modeling of annual maximum 24 hour precipitation. An application to data from Iceland

  Geirsson, Ó. P., Hrafnkelsson, B. & Simpson, D., 2015, In: Environmetrics. 26, 5, p. 339-353

  Research output: Contribution to journal › Article › peer-review
  9 Citations (SciVal)

• Computational materials design of crystalline solids

  Butler, K. T., Frost, J. M., Skelton, J. M., Svane, K. L. & Walsh, A., 21 Nov 2016, In: Chemical Society Reviews. 45, 22, p. 6138-6146

  Research output: Contribution to journal › Article › peer-review

  Open Access
  87 Citations (SciVal)

• Computational methods for large-scale inverse problems: a survey on hybrid projection methods

  Chung, J. & Gazzola, S., 6 Feb 2023, (Acceptance date) In: Siam Review.

  Research output: Contribution to journal › Review article › peer-review

  Open Access

  File
  8 Downloads (Pure)

• Computational model‐based design of a wearable artificial pump‐lung for cardiopulmonary/respiratory support

  Wu, Z. J., Taskin, M. E., Zhang, T., Fraser, K. H. & Griffith, B. P., Apr 2012, In: Artificial Organs. 36, 4, p. 387-399 13 p.

  Research output: Contribution to journal › Article › peer-review
  21 Citations (SciVal)

• Computational Modeling of a Caged Methyl Cation: Structure, Energetics, and Vibrational Analysis

  Wilson, P. B. & Williams, I. H., 8 Feb 2018, In: Journal of Physical Chemistry A. 122, 5, p. 1432-1438 7 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File
  2 Citations (SciVal)

  95 Downloads (Pure)

• Computational modeling of structure formation during dielectrophoresis in particulate composites

  Gutiérrez, M. A., Khanbareh, H. & Van Der Zwaag, S., 1 Feb 2016, In: Computational Materials Science. 112, Part A, p. 139-146 8 p.

  Research output: Contribution to journal › Article › peer-review
  12 Citations (SciVal)

• Computational modelling and digital materialization of Alberti’s column system: a reflection on results obtained

  Castro e Costa, E., Duarte, J. P. & Krüger, M., 2014, In: Joelho: Revista de Cultura Arquitectónica. 5, p. 58-65 8 p.

  Research output: Contribution to journal › Article

• Computational modelling and digital materialization of classical architectural elements: Systematizing Alberti’s column

  Castro e Costa, E., 2012, Lisbon, Portugal.

  Research output: Thesis › Master's Thesis

• Computational modelling and experimental tank testing of the multi float WaveSub under regular wave forcing

  Faraggiana, E., Whitlam, C., Chapman, J., Hillis, A., Roesner, J., Hann, M., Greaves, D., Yu, Y-H., Ruehl, K., Masters, I., Foster, G. & Stockman, G., 30 Jun 2020, In: Renewable Energy. 152, p. 892-909 28 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File
  20 Citations (SciVal)

  37 Downloads (Pure)

• Computational modelling of building damage due to tunnelling

  Giardina, G., Hendriks, M. A. N. & Rots, J. G., 2009, 2nd International Conference on Computational Methods in Tunnelling: EURO:TUN 2009. Ruhr University Bochum, Germany, p. 955-960 6 p.

  Research output: Chapter or section in a book/report/conference proceeding › Chapter in a published conference proceeding

• Computational modelling of convective heat transfer in a simulated engine cooling gallery

  Robinson, K., Wilson, M., Leathard, M. J. & Hawley, J. G., 2007, In: Proceedings of the Institution of Mechanical Engineers, Part D: Journal of Automobile Engineering. 221, 9, p. 1147-1157 11 p.

  Research output: Contribution to journal › Article › peer-review
  5 Citations (SciVal)

• Computational Modelling of Point Defects in Lithium Garnets

  Squires, A., Walker, A. & Morgan, B., 18 Dec 2017.

  Research output: Contribution to conference › Poster

• Computational Models for Normative Multi-Agent Systems

  Alechina, N., Bassiliades, N., Dastani, M., De Vos, M., Logan, B., Mera, S., Morris-Martin, A. & Schapachnik, F., 2013, Normative Multi-Agent Systems. Andrighetto, G., Governatori, G., Noriega, P. & van der Torre, L. W. N. (eds.). Leibniz International Proceedings in Informatics, Vol. 4. p. 71-92 22 p. (Dagstuhl Follow-Ups).

  Research output: Chapter or section in a book/report/conference proceeding › Chapter in a published conference proceeding

  Open Access

  File
  50 Downloads (Pure)

• Computational music theory

  Boenn, G., Brain, M., De Vos, M. & Ffitch, J., 2012, Musical Metacreation: Papers from the 2012 AIIDE Workshop. Association for the Advancement of Artificial Intelligence (AAAI), p. 27-34 8 p. (AAAI Technical Report; vol. WS-12-16).

  Research output: Chapter or section in a book/report/conference proceeding › Chapter or section

• Computational mutagenesis reveals the role of active-site tyrosine in stabilising a boat conformation for the substrate: QM/MM molecular dynamics studies of wild-type and mutant xylanases

  Soliman, M. E. S., Ruggiero, G. D., Pernia, J. J. R., Greig, I. R. & Williams, I. H., 7 Feb 2009, In: Organic and Biomolecular Chemistry. 7, 3, p. 460-468 9 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File
  34 Citations (SciVal)

  198 Downloads (Pure)

• Computational network design from functional specifications

  Peng, C-H., Yang, Y., Bao, F., Fink, D., Yan, D-M., Wonka, P. & Mitra, N., 31 Jul 2016, In: ACM Transactions on Graphics. 35, 4, p. 1-12 12 p., 131.

  Research output: Contribution to journal › Article › peer-review

  Open Access
  34 Citations (SciVal)

  18 Downloads (Pure)

• Computational optical imaging with a photonic lantern

  Birks, T., Choudhury, D., McNicholl, D., Repetti, A., Gris Sanchez, I., Li, S., Phillips, D., Whyte, G., Wiaux, Y. & Thomson, R., 15 Oct 2020, In: Nature Communications. 11, 5217.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File
  13 Citations (SciVal)

  37 Downloads (Pure)

• Computational prediction and design for creating iteratively larger heterospecific coiled coil sets

  Crooks, R., Lathbridge, A., Panek, A. & Mason, J., 21 Mar 2017, In: Biochemistry. 56, 11, p. 1573-1584

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File
  15 Citations (SciVal)

  206 Downloads (Pure)

• Computational QM/MM investigation of the adsorption of MTH active species in H-Y and H-ZSM-5

  Nastase, S., O'Malley, A., Catlow, C. R. A. & Logsdail, A., 21 Dec 2018, (E-pub ahead of print) In: Physical Chemistry Chemical Physics . 21, 5, p. 2639-2650 11 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access
  16 Citations (SciVal)

• Computational screening of all stoichiometric inorganic materials

  Davies, D. W., Butler, K. T., Jackson, A. J., Morris, A., Frost, J. M., Skelton, J. M. & Walsh, A., 13 Oct 2016, In: Chem. 1, 4, p. 617-627 10 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access
  92 Citations (SciVal)

• Computational screening of structural and compositional factors for electrically conductive coordination polymers

  Tiana, D., Hendon, C. H., Walsh, A. & Vaid, T., 28 Jul 2014, In: Physical Chemistry Chemical Physics . 16, 28, p. 14463-14472 10 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File
  22 Citations (SciVal)

  139 Downloads (Pure)

• Computational simulation for predicting flow through a belleville washer damper unit

  Patel, A., Tilley, D. & Darling, J., 22 May 2009, Proceedings of the ASME International Mechanical Engineering Congress and Exposition, IMECE 2007. American Society of Mechanical Engineers (ASME), p. 1559-1564 6 p. IMECE2007-42125. (ASME International Mechanical Engineering Congress and Exposition, Proceedings; vol. 9 PART C).

  Research output: Chapter or section in a book/report/conference proceeding › Chapter in a published conference proceeding

• Computational Simulation for Predicting Flow Through a Belleville Washer Damper Unit

  Patel, A., Tilley, D. G. & Darling, J., Nov 2007.

  Research output: Contribution to conference › Paper