7,619 research outputs found

    A new introductory quantum mechanics curriculum

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    The Institute of Physics New Quantum Curriculum consists of freely available online learning and teaching materials (quantumphysics.iop.org) for a first course in university quantum mechanics starting from two-level systems. This approach immediately immerses students in inherently quantum mechanical aspects by focusing on experiments that have no classical explanation. It allows from the start a discussion of interpretive aspects of quantum mechanics and quantum information theory. This article gives an overview of the resources available at the IOP website. The core text is presented as around 80 articles co-authored by leading experts that are arranged in themes and can be used flexibly to provide a range of alternative approaches. Many of the articles include interactive simulations with accompanying activities and problem sets that can be explored by students to enhance their understanding. Much of the linear algebra needed for this approach is part of the resource. Solutions to activities are available to instructors. The resources can be used in a variety of ways from supplements to existing courses to a complete programme.Comment: 10 pages, 2 figures, 1 table; submitted to the European Journal of Physic

    Exploration of Reaction Pathways and Chemical Transformation Networks

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    For the investigation of chemical reaction networks, the identification of all relevant intermediates and elementary reactions is mandatory. Many algorithmic approaches exist that perform explorations efficiently and automatedly. These approaches differ in their application range, the level of completeness of the exploration, as well as the amount of heuristics and human intervention required. Here, we describe and compare the different approaches based on these criteria. Future directions leveraging the strengths of chemical heuristics, human interaction, and physical rigor are discussed.Comment: 48 pages, 4 figure

    Immersive Interactive Quantum Mechanics for Teaching and Learning Chemistry

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    The impossibility of experiencing the molecular world with our senses hampers teaching and understanding chemistry because very abstract concepts (such as atoms, chemical bonds, molecular structure, reactivity) are required for this process. Virtual reality, especially when based on explicit physical modeling (potentially in real time), offers a solution to this dilemma. Chemistry teaching can make use of advanced technologies such as virtual-reality frameworks and haptic devices. We show how an immersive learning setting could be applied to help students understand the core concepts of typical chemical reactions by offering a much more intuitive approach than traditional learning settings. Our setting relies on an interactive exploration and manipulation of a chemical system; this system is simulated in real-time with quantum chemical methods, and therefore, behaves in a physically meaningful way.Comment: 16 pages, 4 figure

    WavePacket: A Matlab package for numerical quantum dynamics. I: Closed quantum systems and discrete variable representations

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    WavePacket is an open-source program package for the numerical simulation of quantum-mechanical dynamics. It can be used to solve time-independent or time-dependent linear Schr\"odinger and Liouville-von Neumann-equations in one or more dimensions. Also coupled equations can be treated, which allows to simulate molecular quantum dynamics beyond the Born-Oppenheimer approximation. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate experiments involving tailored light pulses in photo-induced physics or chemistry.The graphical capabilities allow visualization of quantum dynamics 'on the fly', including Wigner phase space representations. Being easy to use and highly versatile, WavePacket is well suited for the teaching of quantum mechanics as well as for research projects in atomic, molecular and optical physics or in physical or theoretical chemistry.The present Part I deals with the description of closed quantum systems in terms of Schr\"odinger equations. The emphasis is on discrete variable representations for spatial discretization as well as various techniques for temporal discretization.The upcoming Part II will focus on open quantum systems and dimension reduction; it also describes the codes for optimal control of quantum dynamics.The present work introduces the MATLAB version of WavePacket 5.2.1 which is hosted at the Sourceforge platform, where extensive Wiki-documentation as well as worked-out demonstration examples can be found

    Planning Curricular Proposals on Sound and Music with Prospective Secondary-School Teachers

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    Sound is a preferred context to build foundations on wave phenomena, one of the most important disciplinary referents in physics. It is also one of the best-set frameworks to achieve transversality, overcoming scholastic level and activating emotional aspects which are naturally connected with every day life, as well as with music and perception. Looking at sound and music by a transversal perspective - a border-line approach between science and art, is the adopted statement for a teaching proposal using meta-cognition as a strategy in scientific education. This work analyzes curricular proposals on musical acoustics, planned by prospective secondary-school teachers in the framework of a Formative Intervention Module answering the expectation of making more effective teaching scientific subjects by improving creative capabilities, as well as leading to build logical and scientific categorizations able to consciously discipline artistic activity in music students. With this aim, a particular emphasis is given to those concepts - like sound parameters and structural elements of a musical piece, which are best fitted to be addressed on a transversal perspective, involving simultaneously physics, psychophysics and music.Comment: 12 pages with 5 figures. Submitted for publication in Physics Curriculum Design, Development and Validation - GIREP 2008 book of selected papers, 200

    The LAB@FUTURE Project - Moving Towards the Future of E-Learning

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    This paper presents Lab@Future, an advanced e-learning platform that uses novel Information and Communication Technologies to support and expand laboratory teaching practices. For this purpose, Lab@Future uses real and computer-generated objects that are interfaced using mechatronic systems, augmented reality, mobile technologies and 3D multi user environments. The main aim is to develop and demonstrate technological support for practical experiments in the following focused subjects namely: Fluid Dynamics - Science subject in Germany, Geometry - Mathematics subject in Austria, History and Environmental Awareness – Arts and Humanities subjects in Greece and Slovenia. In order to pedagogically enhance the design and functional aspects of this e-learning technology, we are investigating the dialogical operationalisation of learning theories so as to leverage our understanding of teaching and learning practices in the targeted context of deployment

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