Kim, Taewon D., Richer, M., Sánchez-Díaz, Gabriela, Miranda-Quintana, Ramón Alain, Verstraelen, Toon, Heidar-Zadeh, Farnaz, and Ayers, Paul W.
Journal of Computational Chemistry. February 15, 2023, Vol. 44 Issue 5, p697, 13 p.
Keywords: ab initio; electronic structure; FANCI; method development; Python Abstract Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in electronic structure theory. The main use of Fanpy is to quickly prototype new methods by making it easier to convert the mathematical formulation of a new wavefunction ansätze to a working implementation. Fanpy is designed based on our recently introduced Flexible Ansatz for N-electron Configuration Interaction (FANCI) framework, where multideterminant wavefunctions are represented by their overlaps with Slater determinants of orthonormal spin-orbitals. In the simplest case, a new wavefunction ansatz can be implemented by simply writing a function for evaluating its overlap with an arbitrary Slater determinant. Fanpy is modular in both implementation and theory: the wavefunction model, the system's Hamiltonian, and the choice of objective function are all independent modules. This modular structure makes it easy for users to mix and match different methods and for developers to quickly explore new ideas. Fanpy is written purely in Python with standard dependencies, making it accessible for various operating systems. In addition, it adheres to principles of modern software development, including comprehensive documentation, extensive testing, quality assurance, and continuous integration and delivery protocols. This article is considered to be the official release notes for the Fanpy library. Article Note: Funding information Canada Research Chairs; Natural Sciences and Engineering Research Council of Canada; CANARIE; Compute Canada; Research Board of Ghent University; University of Florida Byline: Taewon D. Kim, M. Richer, Gabriela Sánchez-Díaz, Ramón Alain Miranda-Quintana, Toon Verstraelen, Farnaz Heidar-Zadeh, Paul W. Ayers
Keywords Tissue P System; Wireless Sensor Network; Multi-Objective problem; Task Assignment; Decision Support System; Parallel computing; Sustainable computing Abstract The contemporary wireless sensor applications employ a Heterogeneous Wireless Sensor Network (HeWSN) to achieve its multi-objective missions. Modern wireless nodes constituting the HeWSN are more versatile in terms of its capabilities, functionalities, and applications. Assigning tasks in a dynamic HeWSN environment are challenging due to its inherent heterogeneous properties and capabilities. The investigation of existing task assignment algorithms reveals (i) the majority of the existing task assignment algorithms were designed for the homogeneous environment, (ii) most of the nature-inspired algorithms were built for centralized architecture. Scheduling tasks by existing task assignment algorithms lead to underutilization of resources as well as to the rapid depletion of network resources. To this end, a novel, distributed, heterogeneous task assignment algorithm adhering the modern sensors capabilities, functionalities and sensor application to attain sustainable computing is required. Based on the investigation, Tissue P-System inspired task assignment algorithm for the distributed heterogeneous WSN has been modelled. The experimental analyses of the proposed method have been self-evaluated as well as compared with the corresponding recent benchmark algorithms under various conditions and its performance metrics are analysed. Author Affiliation: Karunya Institute of Technology & Sciences, Coimbatore, Tamil Nadu 641 114, India * Corresponding author. Article History: Received 18 November 2019; Revised 11 June 2020; Accepted 21 June 2020 (footnote) Peer review under responsibility of King Saud University. Byline: Titus Issac [firstname.lastname@example.org] (*), Salaja Silas, Elijah Blessing Rajsingh
To purchase or authenticate to the full-text of this article, please visit this link: http://onlinelibrary.wiley.com/doi/10.1002/rcs.1895/abstract Byline: Mohamed Farid Shehab, Nabila Mohammed Abdel Hamid, Nevien Abdullatif Askar, Ahmed Mokhtar Elmardenly Keywords: CAD-CAM, electron beam melting; immediate mandibular reconstruction; patient-specific titanium mesh; rapid prototyping Abstract Background Immediate mandibular reconstruction was performed using a patient-specific titanium mesh tray fabricated by electron beam melting (EBM) /rapid prototyping techniques. Methods Patient-specific titanium trays were virtually designed and fabricated using EBM technology/rapid prototyping for patients requiring mandibular resection and immediate reconstruction using an iliac crest bone graft. Dental implants were placed in the grafted sites and the patients received prosthetic rehabilitation with a follow-up of one year. Clinical data, postoperative bone formation and complications were evaluated. Results A symmetric appearance of facial contours was achieved. The titanium tray incorporated the particulate iliac crest bone graft that provided significant bone formation (mean 18.97 [+ or -] 1.45 mm) and predictable results. Stability of the dental implants was achieved. Conclusion The patient-specific titanium meshes and immediate particulate autogenous bone graft showed satisfactory clinical and surgical results in improving patients' quality of life and decreasing the overall treatment time with adequate functional rehabilitation.
Keywords vibrations; additive manufactoring; computer modeling; rapid prototyping Abstract The emerging concept of mechanical meta-materials has gained increasing attention in recent years, partly due to advances in additive manufacturing techniques (additive manufacturing, 3D printing) that have allowed the fabrication of materials with arbitrarily complex micro / nanostructures. The designed geometry of these structures gives rise to unprecedented or rare mechanical properties that can used to create advanced elements with new, unprecedented functions. This paper presents the method of prototyping a vibro-isolator made of a material that has the properties of storing and disposing of mechanical vibration energy and that can freely be shaped by modern manufacturing techniques. An example of a vibration isolator of the proprietary concept analyzed, using the concept of stepped and adding elements. The method is based on the use of two main tools. Mechanical properties verified by analyzing the frequency and mode of free vibrations of the prototype using the finite element method. The same CAD model of the vibro-isolator prototype produced by 3D printing. The paper presents one of the production techniques, which is 3D printing in SLS (Selective Laser Sintering) technology, and the SolidWorks and Comsol Multhiphysics software used in the CAD / CAE prototyping method. Author Affiliation: (a) Faculty of Mechanical Engineering,Koszalin University of Technology, Koszalin 75-453, Poland Byline: Remigiusz Knitter (a), Andrzej Blazejewski (a), Tomasz Królikowski [email@example.com] (a)
Journal of Information Systems Education. Summer, 2020, Vol. 31 Issue 3, p179, 8 p.
Teaching -- Usage, Teaching -- Methods, and Teaching -- Study and teaching
Given the ubiquity of interfaces on computing devices, it is essential for future Information Systems (IS) professionals to understand the ramifications of good user interface (UI) design. This article provides instructions on how to efficiently and effectively teach IS students about "fit," a Human-Computer Interaction (HCI) concept, through a paper prototyping activity. Although easy to explain, the concept of "fit" can be difficult to understand without repeated practice. Practically, designing "fit" into UIs can be cost-prohibitive because working prototypes are often beyond students' technical skillset. Accordingly, based on principles of active learning, we show how to use paper prototyping to demonstrate "fit" in a hands-on class exercise. We provide detailed stepby-step instructions to plan, setup, and present the exercise to guide students through the process of "fit" in UI design. As a result of this activity, students are better able to employ both theoretical and practical applications of "fit" in UI design and implementation. This exercise is applicable in any course that includes UI design, such as principles of HCI, systems analysis and design, software engineering, and project management. Keywords: Human-computer interaction (HCI), Paper prototyping, Active learning, Constructionism, Teaching tip 1. INTRODUCTION With computing devices peppering nearly every aspect of our lives, how people interact with these technologies is critically important to all computing fields. In fact, failure to properly [...]