Artículos de revistas: "Parameterised systems"

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Groote, Jan Friso y Tim A. C. Willemse. "Parameterised boolean equation systems". Theoretical Computer Science 343, n.º 3 (octubre de 2005): 332–69. http://dx.doi.org/10.1016/j.tcs.2005.06.016.

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2

Orzan, Simona y Tim A. C. Willemse. "Invariants for Parameterised Boolean Equation Systems". Theoretical Computer Science 411, n.º 11-13 (marzo de 2010): 1338–71. http://dx.doi.org/10.1016/j.tcs.2009.11.001.

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3

Kouvaros, Panagiotis y Alessio Lomuscio. "Parameterised verification for multi-agent systems". Artificial Intelligence 234 (mayo de 2016): 152–89. http://dx.doi.org/10.1016/j.artint.2016.01.008.

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4

Ploeger, B., J. W. Wesselink y T. A. C. Willemse. "Verification of reactive systems via instantiation of Parameterised Boolean Equation Systems". Information and Computation 209, n.º 4 (abril de 2011): 637–63. http://dx.doi.org/10.1016/j.ic.2010.11.025.

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5

Nagae, Yutaro y Masahiko Sakai. "Reduced Dependency Spaces for Existential Parameterised Boolean Equation Systems". Electronic Proceedings in Theoretical Computer Science 265 (16 de febrero de 2018): 67–81. http://dx.doi.org/10.4204/eptcs.265.6.

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6

Yoo, S. J. "Adaptive control of non-linearly parameterised pure-feedback systems". IET Control Theory & Applications 6, n.º 3 (2012): 467. http://dx.doi.org/10.1049/iet-cta.2011.0150.

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7

Calder, M. y A. Miller. "An automatic abstraction technique for verifying featured, parameterised systems". Theoretical Computer Science 404, n.º 3 (septiembre de 2008): 235–55. http://dx.doi.org/10.1016/j.tcs.2008.03.034.

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8

Tang, D. F. y S. Dobbie. "iGen 0.1: a program for the automated generation of models and parameterisations". Geoscientific Model Development 4, n.º 3 (16 de septiembre de 2011): 785–95. http://dx.doi.org/10.5194/gmd-4-785-2011.

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Abstract. Complex physical systems can often be simulated using very high resolution models but this is not always practical because of computational restrictions. In this case the model must be simplified or parameterised in order to make it computationally tractable. A parameterised model is created using an ad-hoc selection of techniques which range from the formal to the purely intuitive, and as a result it is very difficult to objectively quantify the fidelity of the model to the physical system. It is rare that a parameterised model can be formally shown to simulate a physical system to within some bounded error. Here we introduce a new approach to parameterising models which allows error to be formally bounded. The approach makes use of a newly developed computer program, which we call iGen, that analyses the source code of a high-resolution model and formally derives a much faster, parameterised model that closely approximates the original, reporting bounds on the error introduced by any approximations. These error bounds can be used to formally justify conclusions about a physical system based on observations of the model's behaviour. Using increasingly complex physical systems as examples we illustrate that iGen has the ability to produce parameterisations that run typically orders of magnitude faster than the underlying, high-resolution models from which they are derived.

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9

Tang, D. F. y S. Dobbie. "iGen: a program for the automated generation of models and parameterisations". Geoscientific Model Development Discussions 4, n.º 2 (8 de abril de 2011): 843–68. http://dx.doi.org/10.5194/gmdd-4-843-2011.

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Abstract. Complex physical systems can often be simulated using very high-resolution models but this is not always practical because of computational restrictions. In this case the model must be simplified or parameterised, but this is a notoriously difficult process that often requires the introduction of "model assumptions" that are hard or impossible to justify. Here we introduce a new approach to parameterising models. The approach makes use of a newly developed computer program, which we call iGen, that analyses the source code of a high-resolution model and formally derives a much faster parameterised model that closely approximates the original, reporting bounds on the error introduced by any approximations. These error bounds can be used to formally justify use of the parameterised model in subsequent numerical experiments. Using increasingly complex physical systems as examples we illustrate that iGen has the ability to produce parameterisations that run typically orders of magnitude faster than the underlying, high-resolution models from which they are derived and show that iGen has the potential to become an important tool in model development.

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10

Kant, Gijs y Jaco van de Pol. "Efficient Instantiation of Parameterised Boolean Equation Systems to Parity Games". Electronic Proceedings in Theoretical Computer Science 99 (23 de octubre de 2012): 50–65. http://dx.doi.org/10.4204/eptcs.99.7.

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11

Neele, Thomas, Tim A. C. Willemse y Jan Friso Groote. "Finding compact proofs for infinite-data parameterised Boolean equation systems". Science of Computer Programming 188 (marzo de 2020): 102389. http://dx.doi.org/10.1016/j.scico.2019.102389.

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12

Nagae, Yutaro, Masahiko Sakai y Hiroyuki Seki. "An Extension of Proof Graphs for Disjunctive Parameterised Boolean Equation Systems". Electronic Proceedings in Theoretical Computer Science 235 (1 de enero de 2017): 46–61. http://dx.doi.org/10.4204/eptcs.235.4.

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13

Hartley, Edward N. y Jan M. Maciejowski. "Reconfigurable predictive control for redundantly actuated systems with parameterised input constraints". Systems & Control Letters 66 (abril de 2014): 8–15. http://dx.doi.org/10.1016/j.sysconle.2014.01.002.

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14

Yin, Qitian, Mao Wang, Yougao Fan, Libin Ma y Xinyu Wang. "Switching tuning backstepping control of mixed switched nonseparated parameterised nonlinear systems". International Journal of Systems Science 51, n.º 15 (15 de octubre de 2020): 2767–80. http://dx.doi.org/10.1080/00207721.2020.1783591.

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15

Long, Lijun. "Robust adaptive control for switched nonlinearly parameterised systems with dynamic uncertainties". International Journal of Control 93, n.º 12 (17 de enero de 2019): 2838–47. http://dx.doi.org/10.1080/00207179.2019.1566641.

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16

Cohen, Liron, Adham Jabarin, Andrei Popescu y Reuben N. S. Rowe. "The Complex(ity) Landscape of Checking Infinite Descent". Proceedings of the ACM on Programming Languages 8, POPL (5 de enero de 2024): 1352–84. http://dx.doi.org/10.1145/3632888.

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Cyclic proof systems, in which induction is managed implicitly, are a promising approach to automatic verification. The soundness of cyclic proof graphs is ensured by checking them against a trace-based Infinite Descent property. Although the problem of checking Infinite Descent is known to be PSPACE-complete, this leaves much room for variation in practice. Indeed, a number of different approaches are employed across the various cyclic proof systems described in the literature. In this paper, we study criteria for Infinite Descent in an abstract, logic-independent setting. We look at criteria based on Büchi automata encodings and relational abstractions, and determine their parameterized time complexities in terms of natural dimensions of cyclic proofs: the numbers of vertices of the proof-tree graphs, and the vertex width—an upper bound on the number of components (e.g., formulas) of a sequent that can be simultaneously tracked for descent. We identify novel algorithms that improve upon the parameterised complexity of the existing algorithms. We implement the studied criteria and compare their performance on various benchmarks.

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17

Prajapat, Shaligram. "Frequent pattern mining for parameterised automatic variable key-based cryptosystems". International Journal of Business Intelligence and Data Mining 16, n.º 1 (2020): 33. http://dx.doi.org/10.1504/ijbidm.2020.103850.

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18

Benslimane, Hocine, Abdesselem Boulkroune y Hachemi Chekireb. "Adaptive iterative learning control of nonlinearly parameterised strict feedback systems with input saturation". International Journal of Automation and Control 12, n.º 2 (2018): 251. http://dx.doi.org/10.1504/ijaac.2018.090807.

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19

Chekireb, Hachemi, Abdesselem Boulkroune y Hocine Benslimane. "Adaptive iterative learning control of nonlinearly parameterised strict feedback systems with input saturation". International Journal of Automation and Control 12, n.º 2 (2018): 251. http://dx.doi.org/10.1504/ijaac.2018.10010881.

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20

Wang, J. y Z. Qu. "Robust adaptive control of a class of nonlinearly parameterised time-varying uncertain systems". IET Control Theory & Applications 3, n.º 6 (1 de junio de 2009): 617–30. http://dx.doi.org/10.1049/iet-cta.2008.0163.

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21

Yuan, Jia-Wei y Yao-Lin Jiang. "A parameterised model order reduction method for parametric systems based on Laguerre polynomials". International Journal of Control 91, n.º 8 (13 de junio de 2017): 1861–72. http://dx.doi.org/10.1080/00207179.2017.1333156.

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22

Sun, Xiaoru y Chris T. Freeman. "Parameterised function ILC with application to stroke rehabilitation". Control Engineering Practice 145 (abril de 2024): 105878. http://dx.doi.org/10.1016/j.conengprac.2024.105878.

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23

Thomas, Daniel B., Timothy Clifton y Theodore Anton. "Scale-dependent gravitational couplings in Parameterised Post-Newtonian Cosmology". Journal of Cosmology and Astroparticle Physics 2023, n.º 04 (1 de abril de 2023): 016. http://dx.doi.org/10.1088/1475-7516/2023/04/016.

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Abstract Parameterised Post-Newtonian Cosmology (PPNC) is a theory-agnostic framework for testing gravity in cosmology, which connects gravitational physics on small and large scales in the Universe. It is a direct extension of the Parameterised Post-Newtonian (PPN) approach to testing gravity in isolated astrophysical systems, and therefore allows constraints on gravity from vastly different physical regimes to be compared and combined. We investigate the application of this framework to a class of example scalar-tensor theories of gravity in order to verify theoretical predictions, and to investigate for the first time the scale-dependence of the gravitational couplings that appear within its perturbation equations. In doing so, we evaluate the performance of some simple interpolating functions in the transition region between small and large cosmological scales, as well as the uncertainties that using such functions would introduce into the calculation of observables. We find that all theoretical predictions of the PPNC framework are verified to high accuracy in the relevant regimes, and that simple interpolating functions perform well (but not perfectly) between these regimes. This study is an important step towards being able to use the PPNC framework to analyse cosmological datasets, and to thereby test if/how the gravitational interaction has changed as the Universe has evolved.

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24

HOUSE, THOMAS. "GENERALIZED NETWORK CLUSTERING AND ITS DYNAMICAL IMPLICATIONS". Advances in Complex Systems 13, n.º 03 (junio de 2010): 281–91. http://dx.doi.org/10.1142/s0219525910002645.

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A parametrization of generalised network clustering, in the form of four-motif prevalences, is presented. This involves three real parameters that are conditional on one-, two- and three-motif prevalences. Interpretations of these real parameters are presented that motivate a set of rewiring schemes to create appropriately clustered networks. Finally, the dynamical implications of higher order structure, as parameterised, for a contact process are considered.

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25

Khandelwal, Ravi, Asfia Urooj y Rahul Radhakrishnan. "Parameterised State Estimation Approach for 2-Dimensional Underwater Bearings only Target Tracking". IFAC-PapersOnLine 55, n.º 1 (2022): 801–6. http://dx.doi.org/10.1016/j.ifacol.2022.04.131.

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26

O’Carroll, Dáire y Niall J. English. "Multi-Theory Comparisons of Molecular Simulation Approaches to TiO2/H2O Interfacial Systems". Crystals 13, n.º 7 (19 de julio de 2023): 1122. http://dx.doi.org/10.3390/cryst13071122.

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Herein, we present molecular dynamics analyses of systems containing TiO2 interfaces with water, simulated using empirical forcefields (FF), Density-Functional Tight-Binding (DFTB), and Density-Functional Theory (DFT) methodologies. The results and observed differences between the methodologies are discussed, with the aim of assessing the suitability of each methodology for performing molecular dynamics simulations of catalytic systems. Generally, well-parameterised forcefield MD outperforms the other methodologies—albeit, at the expense of neglecting certain qualitative behaviours entirely. DFTB represents an attractive compromise method, and has the potential to revolutionise the field of molecular dynamics in the near future due to advances in generating parameters.

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27

Liu, Wenhui, Cheng-Chew Lim y Shengyuan Xu. "Adaptive control of a class of quantised nonlinearly parameterised systems with unknown control directions". International Journal of Systems Science 48, n.º 5 (25 de agosto de 2016): 941–51. http://dx.doi.org/10.1080/00207721.2016.1221482.

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28

Ottesen, Michael A., Ryan A. Larson, Christopher J. Stubbs y Douglas D. Cook. "A parameterised model of maize stem cross-sectional morphology". Biosystems Engineering 218 (junio de 2022): 110–23. http://dx.doi.org/10.1016/j.biosystemseng.2022.03.010.

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29

Ottesen, Michael A., Ryan A. Larson, Christopher J. Stubbs y Douglas D. Cook. "A parameterised model of maize stem cross-sectional morphology". Biosystems Engineering 218 (junio de 2022): 110–23. http://dx.doi.org/10.1016/j.biosystemseng.2022.03.010.

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30

Figat, Maksym y Cezary Zieliński. "Parameterised robotic system meta-model expressed by Hierarchical Petri nets". Robotics and Autonomous Systems 150 (abril de 2022): 103987. http://dx.doi.org/10.1016/j.robot.2021.103987.

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31

Dragomir, Iuliana C., András Borbély y Tamás Ungár. "Contrast Factors and Character of Dislocations in Cubic and Hexagonal Crystals". Materials Science Forum 443-444 (enero de 2004): 95–98. http://dx.doi.org/10.4028/www.scientific.net/msf.443-444.95.

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Anisotropic strain broadening of diffraction peaks can be parameterised by dislocation contrast factors. A comprehensive software has been developed and made available through the internet to determine the individual and averaged contrast factors which are also compiled for cubic and hexagonal crystals. Using the theoretical and the measured values of contrast factor the microstructure of the specimen can be characterised in terms of active slip systems, Burgers vector populations, dislocation densities and crystallite size- and size distribution.

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32

Hadryan, Milena. "The Parametrisation of Legal Terminology Concerning Child Maintenance Support in the Swedish and Polish Legal Systems". Studies in Logic, Grammar and Rhetoric 49, n.º 1 (1 de marzo de 2017): 109–24. http://dx.doi.org/10.1515/slgr-2017-0007.

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Abstract This paper deals with translating legal terminology concerning child maintenance from Polish to Swedish. The analysis covers selected terms regulated in the Polish civil law and their possible Swedish equivalents. The method used is based on the parameterisation of legal terms, which allows the specification of terms by selected parameters, which are understood as mutually exclusive properties. The parameterised equivalents are analysed in the context of various types of recipients. This provides the basis for the choice of appropriate translation strategies. The author also discusses pragmatic equivalents featured in Rikstermbanken, the Swedish national terminological database, and those used in practice.

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33

Zhang, Ruikun, Zhongsheng Hou, Honghai Ji y Chenkun Yin. "Adaptive iterative learning control for a class of non-linearly parameterised systems with input saturations". International Journal of Systems Science 47, n.º 5 (29 de abril de 2014): 1084–94. http://dx.doi.org/10.1080/00207721.2014.911422.

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34

Noroozi, N., A. Khayatian, S. Ahmadizadeh y H. R. Karimi. "On integral input-to-state stability for a feedback interconnection of parameterised discrete-time systems". International Journal of Systems Science 47, n.º 7 (30 de agosto de 2014): 1598–614. http://dx.doi.org/10.1080/00207721.2014.942242.

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35

Li, Ping y Guang-Hong Yang. "A novel adaptive control approach for nonlinear strict-feedback systems using nonlinearly parameterised fuzzy approximators". International Journal of Systems Science 42, n.º 3 (marzo de 2011): 517–27. http://dx.doi.org/10.1080/00207721003624576.

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36

Ibbini, M. S. y S. R. Alawneh. "Closed-loop control system robustness improvement by a parameterised state feedback". IEE Proceedings - Control Theory and Applications 145, n.º 1 (1 de enero de 1998): 33–40. http://dx.doi.org/10.1049/ip-cta:19981545.

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37

Remy, Sebastien, Guillaume Ducellier, Sebastien Charles y Benoit Eynard. "Advanced STEP parameterised and constrained features for reverse engineering". International Journal of Computer Applications in Technology 32, n.º 1 (2008): 1. http://dx.doi.org/10.1504/ijcat.2008.019484.

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38

Huerta, Milagros, Juan Antonio Caballero-Hernández y Manuel Alejandro Fernández-Ruiz. "Comparative Study of Moodle Plugins to Facilitate the Adoption of Computer-Based Assessments". Applied Sciences 12, n.º 18 (7 de septiembre de 2022): 8996. http://dx.doi.org/10.3390/app12188996.

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The use of Learning Management Systems (LMS) has had rapid growth over the last decades. Great efforts have been recently made to assess online students’ performance level, due to the COVID-19 pandemic. Faculty members with limited experience in the use of LMS such as Moodle, Edmodo, MOOC, Blackboard and Google Classroom face challenges creating online tests. This paper presents a descriptive and comparative study of the existing plugins used to import questions into Moodle, classifying them according to the necessary computing resources. Each of the classifications were compared and ranked, and features such as the support for gamification and the option to create parameterised questions are explored. Parameterised questions can generate a large number of different questions, which is very useful for large classes and avoids fraudulent behaviour. The paper outlines an open-source plugin developed by the authors: FastTest PlugIn, recently approved by Moodle. FastTest PlugIn is a promising alternative to mitigate the detected limitations in analysed plugins. FastTest PlugIn was validated in seminars with 230 faculty members, obtaining positive results about expectations and potential recommendations. The features of the main alternative plugins are discussed and compared, describing the potential advantages of FastTest PlugIn.

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39

Wang, Chen, Akshay Tharval y John R. Kitchin. "A density functional theory parameterised neural network model of zirconia". Molecular Simulation 44, n.º 8 (3 de enero de 2018): 623–30. http://dx.doi.org/10.1080/08927022.2017.1420185.

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40

Hu, Guolin, Xiaodong Liu, Likui Wang y Hongxing Li. "Relaxed stability and stabilisation conditions for continuous-time Takagi–Sugeno fuzzy systems using multiple-parameterised approach". IET Control Theory & Applications 11, n.º 6 (14 de abril de 2017): 774–80. http://dx.doi.org/10.1049/iet-cta.2016.1017.

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41

Zhang, Ruikun, Zhongsheng Hou, Ronghu Chi y Honghai Ji. "Adaptive iterative learning control for nonlinearly parameterised systems with unknown time-varying delays and input saturations". International Journal of Control 88, n.º 6 (15 de abril de 2015): 1133–41. http://dx.doi.org/10.1080/00207179.2014.994103.

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42

Meeks, Kitty y Alexander Scott. "The parameterised complexity of list problems on graphs of bounded treewidth". Information and Computation 251 (diciembre de 2016): 91–103. http://dx.doi.org/10.1016/j.ic.2016.08.001.

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43

Peach, N. "Bearings-only tracking using a set of range-parameterised extended Kalman filters". IEE Proceedings - Control Theory and Applications 142, n.º 1 (1 de enero de 1995): 73–80. http://dx.doi.org/10.1049/ip-cta:19951614.

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44

Laus, L. P. y J. M. Selig. "Rigid body dynamics using equimomental systems of point-masses". Acta Mechanica 231, n.º 1 (14 de octubre de 2019): 221–36. http://dx.doi.org/10.1007/s00707-019-02543-3.

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Abstract The inertia matrix of any rigid body is the same as the inertia matrix of some system of four point-masses. In this work, the possible disposition of these point-masses is investigated. It is found that every system of possible point-masses with the same inertia matrix can be parameterised by the elements of the orthogonal group in four-dimensional modulo-permutation of the points. It is shown that given a fixed inertia matrix, it is possible to find a system of point-masses with the same inertia matrix but where one of the points is located at some arbitrary point. It is also possible to place two point-masses on an arbitrary line or three of the points on an arbitrary plane. The possibility of placing some of the point-masses at infinity is also investigated. Applications of these ideas to rigid body dynamics are considered. The equation of motion for a rigid body is derived in terms of a system of four point-masses. These turn out to be very simple when written in a 6-vector notation.

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45

Yao, Zhiying, Daeyoung Kim y Yoonmee Doh. "PLUS: parameterised localised trust management-based security framework for sensor networks". International Journal of Sensor Networks 3, n.º 4 (2008): 224. http://dx.doi.org/10.1504/ijsnet.2008.019005.

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46

Sintermann, J., C. Ammann, U. Kuhn, C. Spirig, R. Hirschberger, A. Gärtner y A. Neftel. "Determination of field scale ammonia emissions for common slurry spreading practice with two independent methods". Atmospheric Measurement Techniques Discussions 4, n.º 3 (6 de mayo de 2011): 2635–87. http://dx.doi.org/10.5194/amtd-4-2635-2011.

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Abstract. At a cropland and a grassland site field scale ammonia (NH3) emissions from slurry application were determined simultaneously by two approaches based on (i) eddy covariance (EC) flux measurements using high temperature Chemical Ionisation Mass Spectrometry (HT-CIMS) and on (ii) backward Lagrangian Stochastic (bLS) dispersion modelling using concentration measurements by three optical open path Fourier Transform Infrared (FTIR) systems. Slurry was spread on the fields in sequential tracks over a period of one to two hours. In order to calculate field emissions, measured EC/HT-CIMS fluxes were combined with flux footprint analysis of individual slurry spreading tracks to parameterise the NH3 volatilisation with a bi-exponential time dependence. Accordingly, track-resolved concentration footprints for the FTIR measurements were calculated using bLS. Comparison of concentrations calculated from the parameterised fluxes with concentrations measured by impingers showed that the EC/HT-CIMS emissions on the two fertilisations corresponded to the impinger concentrations within 10 % while the bLS/FTIR results showed larger deviations. For both events, the period during fertilisation and the subsequent two hours contributed by more than 80 % to the total field emissions. Averaged over the two measurement methods, the cumulated emissions of the first day amounted to 17 ± 3 % loss of applied total ammoniacal nitrogen over the cropland and 16 ± 3 % over the grassland field.

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47

Cluckie, I. D., A. Lane y J. Yuan. "Modelling large urban drainage systems in real time". Water Science and Technology 39, n.º 4 (1 de febrero de 1999): 21–28. http://dx.doi.org/10.2166/wst.1999.0185.

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The interactions between rainfall and urban drainage systems (UDSs) are complex and must be considered as a whole in order to maximise control efficiency whilst at the same time achieving environmentally acceptable solutions. More rigorous standards, as a result of recent EU and UK legislation, are increasingly encouraging intervention in system management rather than more traditional passive procedures. To achieve these goals a global predictive real-time control (RTC) strategy is required, in which real-time flow prediction plays an important part in the provision of necessary first-hand information on system status in both current and predictive modes. This paper describes one such strategy, which differs from existing methods in the following ways: the novel way in which the UDS is represented; the algorithm used for model parameter identification; the strategies associated with the system output prediction; and the transfer function model used to represent the system. This transfer function model is a conceptually parameterised transfer function (CPTF) model, which by its nature falls into the category of lumped, dynamic, linear and conceptual although its structure takes the form of a non-conceptual transfer function model. The modelling approach is described as the RHINOS (Real-time urban Hydrological INfrastructure and Output modelling Strategy).

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48

Moawad, Youssef, Wim Vanderbauwhede y René Steijl. "Quantum Circuit-Width Reduction through Parameterisation and Specialisation". Algorithms 16, n.º 5 (5 de mayo de 2023): 241. http://dx.doi.org/10.3390/a16050241.

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As quantum computing technology continues to develop, the need for research into novel quantum algorithms is growing. However, such algorithms cannot yet be reliably tested on actual quantum hardware, which is still limited in several ways, including qubit coherence times, connectivity, and available qubits. To facilitate the development of novel algorithms despite this, simulators on classical computing systems are used to verify the correctness of an algorithm, and study its behaviour under different error models. In general, this involves operating on a memory space that grows exponentially with the number of qubits. In this work, we introduce quantum circuit transformations that allow for the construction of parameterised circuits for quantum algorithms. The parameterised circuits are in an ideal form to be processed by quantum compilation tools, such that the circuit can be partially evaluated prior to simulation, and a smaller specialised circuit can be constructed by eliminating fixed input qubits. We show significant reduction in the number of qubits for various quantum arithmetic circuits. Divide-by-n-bits quantum integer dividers are used as an example demonstration. It is shown that the complexity reduces from 4n+2 to 3n+2 qubits in the specialised versions. For quantum algorithms involving divide-by-8 arithmetic operations, a reduction by 28=256 in required memory is achieved for classical simulation, reducing the memory required from 137 GB to 0.53 GB.

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49

Prasad, Krishnamurthy, Mostafa Nikzad, Shammi Sultana Nisha y Igor Sbarski. "On the Use of Molecular Dynamics Simulations for Elucidating Fine Structural, Physico-Chemical and Thermomechanical Properties of Lignocellulosic Systems: Historical and Future Perspectives". Journal of Composites Science 5, n.º 2 (10 de febrero de 2021): 55. http://dx.doi.org/10.3390/jcs5020055.

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The use of Molecular Dynamics (MD) simulations for predicting subtle structural, thermomechanical and related characteristics of lignocellulosic systems is studied. A historical perspective and the current state of the art are discussed. The use of parameterised MD force fields, scaling up simulations via high performance computing and intrinsic molecular mechanisms influencing the mechanical, thermal and chemical characteristics of lignocellulosic systems and how these can be predicted and modelled using MD is shown. Individual discussions on the MD simulations of the lignin, cellulose, lignin-carbohydrate complex (LCC) and how MD can elucidate the role of water on the surface and microstructural characteristics of these lignocellulosic systems is shown. In addition, the use of MD for unearthing molecular mechanisms behind lignin-enzyme interactions during precipitation processes and the deforming/structure weakening brought about by cellulosic interactions in some lignocellulosic systems is both predicted and quantified. MD results from relatively smaller systems comprised of several hundred to a few thousand atoms and massive multi-million atom systems are both discussed. The versatility and effectiveness of MD based on its ability to provide viable predictions from both smaller and massive starting systems is presented in detail.

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de Haan, Fjalar J., Briony C. Ferguson, Ana Deletic y Rebekah R. Brown. "A socio-technical model to explore urban water systems scenarios". Water Science and Technology 68, n.º 3 (1 de agosto de 2013): 714–21. http://dx.doi.org/10.2166/wst.2013.299.

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This article reports on the ongoing work and research involved in the development of a socio-technical model of urban water systems. Socio-technical means the model is not so much concerned with the technical or biophysical aspects of urban water systems, but rather with the social and institutional implications of the urban water infrastructure and vice versa. A socio-technical model, in the view purported in this article, produces scenarios of different urban water servicing solutions gaining or losing influence in meeting water-related societal needs, like potable water, drainage, environmental health and amenity. The urban water system is parameterised with vectors of the relative influence of each servicing solution. The model is a software implementation of the Multi-Pattern Approach, a theory on societal systems, like urban water systems, and how these develop and go through transitions under various internal and external conditions. Acknowledging that social dynamics comes with severe and non-reducible uncertainties, the model is set up to be exploratory, meaning that for any initial condition several possible future scenarios are produced. This article gives a concise overview of the necessary theoretical background, the model architecture and some initial test results using a drainage example.

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