Sparse grids are a popular tool for the numerical treatment of high-dimensional problems. Where classical numerical discretization schemes fail in more than three or four dimensions, sparse grids, in their different flavors, are frequently the method of choice. This volume of LNCSE presents selected papers from the proceedings of the fourth workshop on sparse grids and applications, and demonstrates once again the importance of this numerical discretization scheme. The articles present recent advances in the numerical analysis of sparse grids in connection with a range of applications including computational chemistry, computational fluid dynamics, and big data analytics, to name but a few.

Sparse grids are a popular tool for the numerical treatment of high-dimensional problems. Where classical numerical discretization schemes fail in more than three or four dimensions, sparse grids, in their different flavors, are frequently the method of choice. This volume of LNCSE presents selected papers from the proceedings of the fifth workshop on sparse grids and applications, and demonstrates once again the importance of this numerical discretization scheme. The articles present recent advances in the numerical analysis of sparse grids in connection with a range of applications including uncertainty quantification, plasma physics simulations, and computational chemistry, to name but a few.

Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The chapter contributors are a Who's Who of world leaders in the field. The editor, Joel Bowman, is widely considered as one of the founding fathers of theoretical reaction dynamics. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods, to interesting applications such as astrochemistry, supramolecular systems and virtual computational spectroscopy. This is a useful reference for theoretical chemists, spectroscopists, physicists, undergraduate and graduate students, lecturers and software developers.

This open access book summarizes the research done and results obtained in the second funding phase of the Priority Program 1648 "Software for Exascale Computing" (SPPEXA) of the German Research Foundation (DFG) presented at the SPPEXA Symposium in Dresden during October 21-23, 2019. In that respect, it both represents a continuation of Vol. 113 in Springer’s series Lecture Notes in Computational Science and Engineering, the corresponding report of SPPEXA’s first funding phase, and provides an overview of SPPEXA’s contributions towards exascale computing in today's sumpercomputer technology. The individual chapters address one or more of the research directions (1) computational algorithms, (2) system software, (3) application software, (4) data management and exploration, (5) programming, and (6) software tools. The book has an interdisciplinary appeal: scholars from computational sub-fields in computer science, mathematics, physics, or engineering will find it of particular interest.

The focus of these conference proceedings is on research, development, and applications in the fields of numerical geometry, scientific computing and numerical simulation, particularly in mesh generation and related problems. In addition, this year’s special focus is on Delaunay triangulations and their applications, celebrating the 130th birthday of Boris Delaunay. In terms of content, the book strikes a balance between engineering algorithms and mathematical foundations. It presents an overview of recent advances in numerical geometry, grid generation and adaptation in terms of mathematical foundations, algorithm and software development and applications. The specific topics covered include: quasi-conformal and quasi-isometric mappings, hyperelastic deformations, multidimensional generalisations of the equidistribution principle, discrete differential geometry, spatial and metric encodings, Voronoi-Delaunay theory for tilings and partitions, duality in mathematical programming and numerical geometry, mesh-based optimisation and optimal control methods. Further aspects examined include iterative solvers for variational problems and algorithm and software development. The applications of the methods discussed are multidisciplinary and include problems from mathematics, physics, biology, chemistry, material science, and engineering.

Over seventy years ago, Richard Bellman coined the term “the curse of dimensionality” to describe phenomena and computational challenges that arise in high dimensions. These challenges, in tandem with the ubiquity of high-dimensional functions in real-world applications, have led to a lengthy, focused research effort on high-dimensional approximation—that is, the development of methods for approximating functions of many variables accurately and efficiently from data. This book provides an in-depth treatment of one of the latest installments in this long and ongoing story: sparse polynomial approximation methods. These methods have emerged as useful tools for various high-dimensional approximation tasks arising in a range of applications in computational science and engineering. It begins with a comprehensive overview of best s-term polynomial approximation theory for holomorphic, high-dimensional functions, as well as a detailed survey of applications to parametric differential equations. It then describes methods for computing sparse polynomial approximations, focusing on least squares and compressed sensing techniques. Sparse Polynomial Approximation of High-Dimensional Functions presents the first comprehensive and unified treatment of polynomial approximation techniques that can mitigate the curse of dimensionality in high-dimensional approximation, including least squares and compressed sensing. It develops main concepts in a mathematically rigorous manner, with full proofs given wherever possible, and it contains many numerical examples, each accompanied by downloadable code. The authors provide an extensive bibliography of over 350 relevant references, with an additional annotated bibliography available on the book’s companion website (www.sparse-hd-book.com). This text is aimed at graduate students, postdoctoral fellows, and researchers in mathematics, computer science, and engineering who are interested in high-dimensional polynomial approximation techniques.

This book gathers outstanding papers presented at the European Conference on Numerical Mathematics and Advanced Applications (ENUMATH 2019). The conference was organized by Delft University of Technology and was held in Egmond aan Zee, the Netherlands, from September 30 to October 4, 2019. Leading experts in the field presented the latest results and ideas regarding the design, implementation and analysis of numerical algorithms, as well as their applications to relevant societal problems. ENUMATH is a series of conferences held every two years to provide a forum for discussing basic aspects and new trends in numerical mathematics and scientific and industrial applications, all examined at the highest level of international expertise. The first ENUMATH was held in Paris in 1995, with successive installments at various sites across Europe, including Heidelberg (1997), Jyvaskyla (1999), lschia Porto (2001), Prague (2003), Santiago de Compostela (2005), Graz (2007), Uppsala (2009), Leicester (2011), Lausanne (2013), Ankara (2015) and Bergen (2017).

The use of machine learning in mechanics is booming. Algorithms inspired by developments in the field of artificial intelligence today cover increasingly varied fields of application. This book illustrates recent results on coupling machine learning with computational mechanics, particularly for the construction of surrogate models or reduced order models. The articles contained in this compilation were presented at the EUROMECH Colloquium 597, « Reduced Order Modeling in Mechanics of Materials », held in Bad Herrenalb, Germany, from August 28th to August 31th 2018. In this book, Artificial Neural Networks are coupled to physics-based models. The tensor format of simulation data is exploited in surrogate models or for data pruning. Various reduced order models are proposed via machine learning strategies applied to simulation data. Since reduced order models have specific approximation errors, error estimators are also proposed in this book. The proposed numerical examples are very close to engineering problems. The reader would find this book to be a useful reference in identifying progress in machine learning and reduced order modeling for computational mechanics.

This collection presents papers from the 151st Annual Meeting & Exhibition of The Minerals, Metals & Materials Society.

This book introduces the reader to solving partial differential equations (PDEs) numerically using element-based Galerkin methods. Although it draws on a solid theoretical foundation (e.g. the theory of interpolation, numerical integration, and function spaces), the book’s main focus is on how to build the method, what the resulting matrices look like, and how to write algorithms for coding Galerkin methods. In addition, the spotlight is on tensor-product bases, which means that only line elements (in one dimension), quadrilateral elements (in two dimensions), and cubes (in three dimensions) are considered. The types of Galerkin methods covered are: continuous Galerkin methods (i.e., finite/spectral elements), discontinuous Galerkin methods, and hybridized discontinuous Galerkin methods using both nodal and modal basis functions. In addition, examples are included (which can also serve as student projects) for solving hyperbolic and elliptic partial differential equations, including both scalar PDEs and systems of equations.