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Computational Approaches in Supramolecular Chemistry

Supramolecular chemistry has been defined by J.-M. Lehn as "a highly interdisciplinary field of science covering the chemical, physical, and biological features of chemical species of higher complexity, that are held together and organized by means of intermolecular (noncovalent) binding interactions" (Science, 1993). Recognition, reactivity, and transport represent three basic functional features, in essence dynami~s, which may be translated into structural features. The purpose of the NATO workshop which took place september 1-5, 1993 at the Bischenberg (near Strasbourg) was to present computations which may contribute to the atomic level understanding of the structural and thermodynamical features involved in the processes of molecular recognition and supramolecular organization. of "supra-molecular modeling". Other The main focus was therefore, on the many facets applications of computers in chemistry, such as automation, simulation of processes, procedures for fitting kinetic or thermodynamic data, computer assisted synthetic strategies, use of data bases for structure elucidation or for bibliographic searches, have an obvious impact in supramolecular chemistry as well, but were not presented at the workshop.

We present a method to calculate the charge redistribution that occurs during
ionophore potential of mean force (PMF) calculations. A new charge distribution
is calculated at the beginning of each simulation that is used to assemble the
PMF ...

Fundamental Approaches to Software Engineering

17th International Conference, FASE 2014, Held as Part of the European Joint Conferences on Theory and Practice of Software, ETAPS 2014, Grenoble, France, April 5-13, 2014, Proceedings

This book constitutes the proceedings of the 17th International Conference on Fundamental Approaches to Software Engineering, FASE 2014, held as part of the European Joint Conferences on Theory and Practice of Software, ETAPS 2014, which took place in Grenoble, France, in April 2014. The 28 papers included in this volume, together with one invited talk, were carefully reviewed and selected from 125 submissions. They have been organized in topical sections on: modeling and model transformation; time and performance; static analysis; scenario-based specification; software verification; analysis and repair; verification and validation; graph transformation and debugging and testing.

If a field p.f is modified in a method m, for each transitive owner o of p, the call
stack contains a method invocation where o is a receiver. We require that all
class invariants in the program are ownership admissible: Definition 2. A class
invariant ...

Approaches and Applications of Inductive Programming

Third International Workshop, AAIP 2009, Edinburgh, UK, September 4, 2009, Revised Papers

There are two more constructors left to define, the first is the one for a Method:
method : Identifier × Message → Method (12) As it is already evident that a
method will have to be identified later on, an Identifier needs to be declared for it
as done ...

Formal Approaches to Agent-Based Systems

First International Workshop, FAABS 2000 Greenbelt, MD, USA, April 5-7, 2000 Revised Papers

This book constitutes the thoroughly refereed post-proceedings of the First International Workshop on Formal Approaches to Agent-Based Systems, FAABS 2000, held in Greenbelt, MD, USA, in April 2000. The 22 revised full papers presented together with 13 posters and two panel discussion reports were carefully reviewed and improved for inclusion in the book. The papers are organized in topical sections on verifying agents' mental states, synthesizing agents initially, frameworks and formalizations, modeling and execution, inter-agent communication, and adaptive agents.

However, because an object must respond in a uniform way to all messages that
call a method, there is a huge gap between scenarios and requirements models.
The object-oriented paradigm is lack of a method to analyse the consistency ...

Human-Computer Interaction: Design and Development Approaches

14th International Conference, HCI International 2011, Orlando, FL, USA, July 9-14, 2011, Proceedings

This four-volume set LNCS 6761-6764 constitutes the refereed proceedings of the 14th International Conference on Human-Computer Interaction, HCII 2011, held in Orlando, FL, USA in July 2011, jointly with 8 other thematically similar conferences. The revised papers presented were carefully reviewed and selected from numerous submissions. The papers accepted for presentation thoroughly cover the entire field of Human-Computer Interaction, addressing major advances in knowledge and effective use of computers in a variety of application areas. The papers of this first volume are organized in topical sections on HCI design, model-based and patterns-based design and development, cognitive, psychological and behavioural issues in HCI, development methods, algorithms, tools and environments, and image processing and retrieval in HCI.

To realize the machine lip-reading, we propose a method which detects the
distinctive mouth shapes from Japanese-speaking images based on their
techniques. We define six mouth shapes as the distinctive mouth shapes, and the
mouth ...

Formal Approaches to Software Testing and Runtime Verification

First Combined International Workshops FATES 2006 and RV 2006, Seattle, WA, USA, August 15-16, 2006, Revised Selected Papers

This book constitutes the thoroughly refereed post-proceedings of the First Combined International Workshops on Formal Approaches to Software Testing, FATES 2006, and on Runtime Verification, RV 2006, held within the scope of FLoC 2006, the Federated Logic Conference in Seattle, WA, USA in August 2006. Coverage discusses formal approaches to test and analyze programs and monitor and guide their executions by using various techniques.

It starts by finding the Vector class, and some implementation I of Enumeration; I
contains a method N named nextElement. We check whether there exists a field
F that may be read by N, while it may be written by M. It remains to show how ...

Evaluation of Novel Approaches to Software Engineering

8th International Conference, ENASE 2013, Angers, France, July 4-6, 2013. Revised Selected Papers

This book constitutes the thoroughly refereed proceedings of the 8th International Conference on Evaluation of Novel Approaches to Software Engineering, ENASE 2013, held in Angers, France, in July 2013. The 18 full papers presented were carefully reviewed and selected from 46 submissions. The papers reflect a growing effort to increase the dissemination of new results among researchers and professionals related to evaluation of novel approaches to software engineering. By comparing novel approaches with established traditional practices and by evaluating them against software quality criteria, the ENASE conferences advance knowledge and research in software engineering, identify most hopeful trends, and propose new directions for consideration by researchers and practitioners involved in large-scale software development and integration.

We assume that the quality of a method, particularly in terms of reliability,
depends also on the quality of the methods it collaborates with to perform its task.
In OO software systems, objects collaborate to achieve their respective
responsibilities.

Formal Approaches to Software Testing

Third International Workshop on Formal Approaches to Testing of Software, FATES 2003, Montreal, Quebec, Canada, October 6th, 2003

This book constitutes the thoroughly refereed post-proceedings of the Third International Workshop on Formal Approaches to Testing of Software, FATES 2003, held in Montreal, Quebec, Canada, on October 6th, 2003. The 18 revised full papers presented were carefully selected from 43 submissions during two rounds of reviewing and improvement. The papers are organized in topical sections on program testing and analysis, test theory and test derivation algorithms, and test methods and test tools.

The solution we propose is a method and tools for constructing a feedback loop
between test generation and specification inference, using and adapting existing
specificationbased test generation and dynamic specification inference ...

Developments in Risk-based Approaches to Safety

Proceedings of the Fourteenth Safety-citical Systems Symposium, Bristol, UK, 7-9 February 2006

This book assembles papers presented at the 14th Annual Safety-critical Systems Symposium, held at Bristol, UK in February 2006. The papers address the most critical topics in the field of safety-critical systems. The focus, considered from various perspectives, is on recent developments in risk-based approaches. Subjects discussed include innovation in risk analysis, management risk, the safety case, software safety, language development and the creation of systems for complex control functions.

In seeking a method of analysing management risk, it would be easiest to limit
the task to the junior management level. An obvious starting point is to attempt to
include the junior manager within the boundary or the system that is the source of
 ...

Fundamental Approaches to Software Engineering

Third International Conference, FASE 2000 Held as Part of the Joint European Conference on Theory and Practice of Software, ETAPS 2000 Berlin, Germany, March 25 - April 2, 2000 Proceedings

ETAPS2000wasthe third instanceofthe EuropeanJointConferenceson Theory and Practice of Software. ETAPS is an annual federated conference that was established in 1998 by combining a number of existing and new conferences. This year it comprised v e conferences (FOSSACS, FASE, ESOP, CC, TACAS), ve satellite workshops (CBS, CMCS, CoFI, GRATRA, INT), seven invited lectures, a panel discussion, and ten tutorials. The events that comprise ETAPS address various aspects of the system - velopment process, including speci cation, design, implementation, analysis, and improvement. The languages, methodologies, and tools which support these - tivities are all well within its scope. Die rent blends of theory and practice are represented, with an inclination towards theory with a practical motivation on one hand and soundly-based practice on the other. Many of the issues involved in software design apply to systems in general, including hardware systems, and the emphasis on software is not intended to be exclusive.

The semantics describe what method bodies are executed in response to a
method call. Another issue with regard to correspondence is object binding. This
is the specification of how objects of classes with corresponding methods are
bound ...