Items where Subject is "F Physical Sciences > F343 Computational Physics"

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Abbasi-Pérez, David and Hongqian, Sang and Pérez-García, Lluïsa and Floris, Andrea and Amabilino, David B and Raval, Rasmita and Recio, J. Manuel and Kantorovich, Lev (2019) Controlling preferential motion of chiral molecular walkers at a surface. Chemical Science, 23 . pp. 5864-5874. ISSN 2041-6520

Ambrus, A. V. and Busuioc, S. and Wagner, A. J. and Paillusson, Fabien and Kusumaatmaja, Halim (2019) Multicomponent flow on curved surfaces : A vielbein lattice Boltzmann approach. Physical Review E . ISSN 2470-0045

Andreussi, Oliviero and Brumme, Thomas and Bunau, Oana and Buongiorno Nardelli, Marco and Calandra, Matteo and Car, Roberto and Cavazzoni, Carlo and Ceresoli, Davide and Cococcioni, Matteo and Colonna, Nicola and Carnimeo, Ivan and Dal Corso, Andrea and de Gironcoli, Stefano and Delugas, Pietro and DiStasio, Robert and Ferretti, Andrea and Floris, Andrea and Fratesi, Guido and Fugallo, Giorgia and Gebauer, Ralph and Gerstmann, Uwe and Giustino, Feliciano and Gorni, Tommaso and Jia, Junteng and Kawamura, Mitsuaki and Ko, Hsin-Yu and Kokalj, Anton and Küçükbenli, Emine and Lazzeri, Michele and Marsili, Margherita and Marzari, Nicola and Mauri, Francesco and Nguyen, Ngoc Linh and Nguyen, Huy-Viet and Otero-de-la-Roza, Alberto and Paulatto, Lorenzo and Poncé, Samuel and Giannozzi, Paolo and Rocca, Dario and Sabatini, Riccardo and Santra, Biswajit and Schlipf, Martin and Seitsonen, Ari Paavo and Smogunov, Alexander and Timrov, Iurii and Thonhauser, Timo and Umari, Paolo and Vast, Nathalie and Wu, Xifan and Baroni, Stefano (2017) Advanced capabilities for materials modelling with Quantum ESPRESSO. Journal of Physics: Condensed Matter . ISSN 0953-8984


Benet, Jorge and Paillusson, Fabien and Kusumaatmaja, Halim (2017) On the critical Casimir interaction between anisotropic inclusions on a membrane. Physical Chemistry Chemical Physics, 19 . pp. 24188-24196. ISSN 1463-9076

Bernardini, Fabio and Boeri, Lilia and Floris, Andrea and Franchini, Cesare and Profeta, Gianni and Sanna, Antonio (2019) Preface Special Issue on novel superconducting and magnetic materials. Journal of Physics: Condensed Matter, 32 (4). ISSN 0953-8984

Bhanja, Sanjukta and Srivastava, Saket (2005) Bayesian modeling of quantum-dot-cellular-automata circuits. In: NSTI Nanotechnology Conference 2005e, 8 - 12 May 2005, Anaheim.

Blanchard, M. and Dauphas, N. and Hu, M. Y. and Roskosz, M. and Alp, E. E. and Golden, D. C. and Sio, C. K. and Tissot, F. L. H. and Zhao, J. and Gao, L. and Morris, R. V. and Fornace, M. and Floris, A. and Lazzeri, M. and Balan, E. (2015) Reduced partition function ratios of iron and oxygen in goethite. Geochimica et Cosmochimica Acta, 151 . pp. 19-33. ISSN 0016-7037


Castagna, J. and Yao, Y. and Yao, J. (2012) Numerical simulation of a turbulent flow over an axisymmetric hill. In: The 50th AIAA Aerospace Sciences Meeting, 9 - 12 Jan 2012, 9 - Gaylord Opryland Resort & Convention Center, Nashville, Tennessee.

Cutsuridis, Vassilis and Kahol, Pawan K. (2008) Derivation and evaluation of the fourth moment of NMR lineshape in zero-field. Solid State Nuclear Magnetic Resonance, 34 (3). pp. 191-195. ISSN 0926-2040


D'Aguanno, Bruno and Mani, Karthik and Grace, Nirmala and Floris, Andrea (2018) Thermostatic properties of nitrate molten salts and their solar and eutectic mixtures. Scientific Reports, 8 . p. 10485. ISSN 978-0-470-68617-1

Diaz, Javier and Pagonabarraga, Ignacio and Zvelindovsky, Andrei and Pinna, Marco (2019) Co-assembly of Janus nanoparticles in block copolymer systems. Soft Matter . ISSN 1744-683X

Diaz, Javier and Pinna, Marco and Zvelindovsky, Andrei and Pagonabarraga, Ignacio (2019) Large scale three dimensional simulations of hybrid block copolymer/nanoparticle systems. Soft Matter . ISSN 1744-683X

Diaz, Javier and Pinna, Marco and Zvelindovsky, Andrei and Pagonabarraga, Ignacio (2019) Nonspherical Nanoparticles in Block Copolymer Composites: Nanosquares, Nanorods, and Diamonds. Macromolecules . ISSN 0024-9297

Diaz, Javier and Pinna, Marco and Zvelindovsky, Andrei and Pagonabarraga, Ignacio (2018) Phase Behavior of Block Copolymer Nanocomposite Systems. Advanced theory and simulations, 1 (9). ISSN 2513-0390

Diaz, Javier and Pinna, Marco and Zvelindovsky, Andrei V. and Asta, Adelchi and Pagonabarraga, Ignacio (2017) Cell dynamic simulations of diblock copolymer/colloid systems. Macromolecular Theory and Simulations, 26 (1). ISSN 1521-3919


Floris, Andrea and Haq, Sam and In’t Veld, Mendel and Amabilino, David and Raval, Rasmita and Kantorovich, Lev (2016) Driving forces for covalent assembly of porphyrins by selective C-H bond activation and intermolecular coupling on a copper surface. Journal of the American Chemical Society, 138 (18). pp. 5837-5847. ISSN 0002-7863


Guo, Chunyan and Wang, Yu and Kittelmann, Markus and Kantorovitch, Lev and Kühnle, Angelika and Floris, Andrea (2017) Mechanisms of covalent dimerization on a bulk insulating surface. The Journal of Physical Chemistry C, 121 (18). pp. 10053-10062. ISSN 1932-7447


Haq, Sam and Wit, Bareld and Sang, Hongqian and Floris, Andrea and Wang, Yu and Wang, Jianbo and Pérez-García, Lluïsa and Kantorovitch, Lev and Amabilino, David B. and Raval, Rasmita (2015) A small molecule walks along a surface between porphyrin fences that are assembled In situ. Angewandte Chemie International Edition, 54 (24). pp. 7101-7105. ISSN 1433-7851

Horikiri, K. and Yao, Y. and Yao, Jun (2012) Numerical study of unsteady airflow phenomena in a ventilated room. In: ICHMT Int. Symp. On Advances in Computational Heat Transfer, July 1, 2012, Bath, UK.

Horikiri, Kana and Yao, Yufeng and Yao, Jun (2015) Numerical optimisation of thermal comfort improvement for indoor environment with occupants and furniture. Energy and Buildings, 88 . pp. 303-315. ISSN 0378-7788


Kelly, Ross E. A. and Xu, Wei and Lukas, Maya and Otero, Roberto and Mura, Manuela and Lee, Young-Joo and Laegsgaard, Erik and Stensgaard, Ivan and Kantorovich, Lev N. and Besenbacher, Flemming (2008) An investigation into the interactions between self-assembled adenine molecules and a Au(111) surface. Small, 4 (9). pp. 1494-1500. ISSN 1613-6810


Li, Junning and Wang, Yu and Curcio, Davide and Lizzit, Silvano and Baraldi, Alessandro and Kantorovich, Lev and Floris, Andrea (2017) Ethylene dissociation on Ni3Al (111). Journal of Physical Chemistry C . ISSN 1932-7447

Liu, Weiqiang and Srivastava, Saket and Lu, Liang and O'Neill, Maire and Swartzlander, Earl E. (2013) Power analysis attack of QCA circuits: a case study of the Serpent cipher. In: Circuits and Systems (ISCAS), 2013 IEEE International Symposium on, 19-23 May 2013, Beijing, China.


Maidi, M. and Yao, Y. and Yao, J. (2007) Numerical simulation of laminar circular and noncircular jets in cross–flow. In: New trends in fluid mechanics research, Proceeding of the Fifth International Conference on Fluid Mechanics, Aug.15-19, 2007, Shanghai, China.

Mura, M. and Sun, X. and Silly, F. and Jonkman, H. T. and Briggs, G. A. D. and Castell, M. R. and Kantorovich, L. N. (2010) Experimental and theoretical analysis of H-bonded supramolecular assemblies of PTCDA molecules. Physical Review B, 81 (19). ISSN 1098-0121


Paillusson, Fabien and Pennington, Matthew R. and Kusmaatmaja, Halim (2016) Phase separation on bicontinuous cubic membranes: symmetry breaking, reentrant, and domain faceting. Physical Review Letters, 117 . 058101. ISSN 0031-9007

Paris, Chiara and Floris, Andrea and Aeschlimann, Simon and Neff, Julia and Kling, Felix and Kühnle, Angelika and Kantorovich, Lev (2018) Kinetic control of molecular assembly on surfaces. Communications Chemistry, 1 (66). ISSN 2399-3669

Prabhu, Saurabh and Dennison, Sarah R. and Mura, Manuela and Lea, Robert W. and Snape, Timothy J. and Harris, Frederick (2014) Cn-AMP2 from green coconut water is an anionic anticancer peptide. Journal of Peptide Science, 20 (12). pp. 909-915. ISSN 1075-2617


Richter, Antje and Floris, Andrea and Bechstein, Ralf and Kantorovich, Lev and Kühnle, Angelika (2018) On-surface synthesis on a bulk insulator surface. Journal of Physics: Condensed Matter, 30 (13). pp. 1-15. ISSN 0953-8984

Roccatano, Danilo (2017) A short introduction to the molecular dynamics simulation of nanomaterials. In: Micro and nanomanufacturing. Springer Nature, pp. 123-155. ISBN 9783319671307, 9783319671321


Sian, S and Yao, J and Yao, Y (2010) Effect of hole shape on adiabatic cooling effectiveness. In: WCE 2009, July 2-4, 2009, Imperial College, London, UK.

Spencer, Russell K. W. and Vorselaars, Bart and Matsen, Mark W. (2017) Continuous thermodynamic integration in field-theoretic simulations of structured polymers. Macromolecular Theory and Simulations, 26 (5). p. 1700036. ISSN 1022-1344

Srivastava, Saket (2007) Probabilistic modeling of quantum-dot cellular automata. PhD thesis, University of South Florida.

Strand, Jack and Chulkov, Sergey and Watkins, Matthew and Shluger, Alexander (2019) First principles calculations of optical properties for oxygen vacancies in binary metal oxides. Journal of Chemical Physics, 150 (4). ISSN 0021-9606


Watkins, Matthew (2018) Effect of electric field on migration of defects in oxides: Vacancies and interstitials in bulk MgO. Physical Review B, 98 (6). ISSN 2469-9950

Watkins, Matthew (2018) Relation between image charge and potential alignment corrections for charged defects in periodic boundary conditions. Journal of Chemical Physics, 149 (2). 024103-1. ISSN 0021-9606


Yao, J. and Mouzoun, O. and Yao, Y. and Mason, P. (2007) Unsteady RANS simulation of flow separation over Ahmed car model. In: emailDelicious Physics and Astronomy IUTAM Symposium on Unsteady Separated Flows and their Control. IUTAM Bookseries (closed), 14 (14). Springer, pp. 471-476. ISBN 9781402098970

Yao, J. and Yao, Y. (2011) Experimental measurements and CFD predictions of blade water coverage in a diesel turbocharger. In: The 12th Int. Conf. Multiphase Flow in Industrial Plants, 21-23 September 201, Ischia (Napoli), Italy.

Yao, J. and Yao, Y. and Mason, P. and Zhang, T. (2008) CFD modeling of water injection flow for turbine blades cleaning. In: The Second International Symposium on Physics of Fluids (ISPF)2),, June, 2008, Nanjing, China.

Yao, J. and Yao, Y. and Mason, P. J. and Zhang, T. and Heyes, F. J. G. and Roach, P. E. (2010) Simulation of gas-water two-phase flow in diesel turbocharger. In: The 6th International Symposium on Multiphase Flow, Heat Mass Transfer and Energy Conversion (AIP Conference Proceedings / Materials Physics and Applications) American Institute of Physics Conference Proceedings. 2010AIPC.1207..723Y, 1207 . American Inst. of Physics, USA, pp. 723-728. ISBN 9780735407442

Yao, J. and Yao, Y. and Mason, P. J. and Zhang, T. and Heyes, F. J. G. and Roach, P. E. (2008) CFD simulation of gas–water two-phase flow in turbocharger. In: Fifth International Conference on Computational Fluid Dynamics (ICCFD5), July 7 – 11, 2008, Seoul, South Korean.

Yao, J. and Yao, Y. and Mason, P. J. and Zhang, T. and Heyes, F. J. G. and Roach, P. E. (2007) Computational prediction of flow behaviour and energy losses in turbocharger. In: Proceeding of the Fifth International Conference on Fluid Mechanics, 15-19 August 2007, Shanghai, China.

Yao, J. and Yao, Y. and Patel, M. K. and Mason, P. J. (2007) On Reynolds number and scaling effects in microchannel flows. The European Physical Journal - Applied Physics, 37 (2). pp. 229-235. ISSN 1286-0042

Yao, J. and Yao, Y. F. and Patel, M. K. and Mason, P. J. (2006) Numerical simulation of heat transfer in rectangular microchannel. In: European Conference on Computational Fluid Dynamics (ECCOMAS), September 5, 2006, Egmond aan Zee, The Netherlands.

Yao, Jun and Reehal, S and Yao, Y (2007) Large-eddy simulation and control of flow separation over Ahmed car model. In: IUTAM Symposium on Unsteady Separated Flows and their Control, 18-22 June 2007, Corfu, Greece..

Yao, Jun and Sian, Sohan and Khan, J and Yao, Yufeng (2010) Effect of hole shape on blade cooling effectiveness. In: AIAA 48th Aerospace Sciences Meeting, Jan, 2010, Orlando, FL, USA.

Yao, Jun and Yao, Y.F. and Patel, M. K. and Mason, P. J. (2006) Numerical simulation of microchannel cooling and heat transfer. In: 13th International Heat Transfer Conference, August 13, 2006, Sydney, Australia.

Yao, Jun and Yao, Yufeng (2010) Measurement and prediction of water coverage of blade ring in a turbocharger. In: iccfd6 The Sixth International Conference on Computational Fluid Dynamics, 12-16 July, 2010, Russia.

Yao, Yufeng and Yao, Jun and Effendy, M. (2012) Evaluation of wall heat transfer in turbine blade trailing-edge passage. In: The 2nd Int. Conf. on Engineering and Technology Innovation, November 2012, Kaohsiung, Taiwan.


Zangi, Ronen and Roccatano, Danilo (2016) Strings-to-rings transition and antiparallel dipole alignment in two-dimensional methanols. Nano Letters, 16 (5). pp. 3142-3147. ISSN 1530-6984

Zimmermann, Nils E.R. and Vorselaars, Bart and Quigley, David and Peters, Baron (2015) Nucleation of NaCl from aqueous solution: critical sizes, ion-attachment kinetics, and rates. Journal of the American Chemical Society, 137 (41). pp. 13352-13361. ISSN 0002-7863

Zimmermann, Nils. E. R. and Vorselaars, Bart and Espinosa, Jorge R. and Quigley, David and Smith, William R. and Sanz, Eduardo and Vega, Carlos and Peters, Baron (2018) NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimates. The Journal of Chemical Physics, 148 (22). p. 222838. ISSN 0021-9606

This list was generated on Sat Jan 25 12:45:59 2020 GMT.