3D mesh processing using GAMer 2 to enable reaction-diffusion simulations in realistic cellular geometries

Recent advances in electron microscopy have enabled the imaging of single cells in 3D at nanometer length scale resolutions. An uncharted frontier for in silico biology is the ability to simulate cellular processes using these observed geometries. Enabling such simulations requires watertight meshing of electron micrograph images into 3D volume meshes, which can then form the basis of computer simulations of such processes using numerical techniques such as the Finite Element Method. In this paper, we describe the use of our recently rewritten mesh processing software, GAMer 2, to bridge the gap between poorly conditioned meshes generated from segmented micrographs and boundary marked tetrahedral meshes which are compatible with simulation. We demonstrate the application of a workflow using GAMer 2 to a series of electron micrographs of neuronal dendrite morphology explored at three different length scales and show that the resulting meshes are suitable for finite element simulations. This work is an important step towards making physical simulations of biological processes in realistic geometries routine. Innovations in algorithms to reconstruct and simulate cellular length scale phenomena based on emerging structural data will enable realistic physical models and advance discovery at the interface of geometry and cellular processes. We posit that a new frontier at the intersection of computational technologies and single cell biology is now open.Comment: 39 pages, 14 figures. High resolution figures and supplemental movies available upon reques

Multi-scale data storage schemes for spatial information systems

This thesis documents a research project that has led to the design and prototype implementation of several data storage schemes suited to the efficient multi-scale representation of integrated spatial data. Spatial information systems will benefit from having data models which allow for data to be viewed and analysed at various levels of detail, while the integration of data from different sources will lead to a more accurate representation of reality. The work has addressed two specific problems. The first concerns the design of an integrated multi-scale data model suited for use within Geographical Information Systems. This has led to the development of two data models, each of which allow for the integration of terrain data and topographic data at multiple levels of detail. The models are based on a combination of adapted versions of three previous data structures, namely, the constrained Delaunay pyramid, the line generalisation tree and the fixed grid. The second specific problem addressed in this thesis has been the development of an integrated multi-scale 3-D geological data model, for use within a Geoscientific Information System. This has resulted in a data storage scheme which enables the integration of terrain data, geological outcrop data and borehole data at various levels of detail. The thesis also presents details of prototype database implementations of each of the new data storage schemes. These implementations have served to demonstrate the feasibility and benefits of an integrated multi-scale approach. The research has also brought to light some areas that will need further research before fully functional systems are produced. The final chapter contains, in addition to conclusions made as a result of the research to date, a summary of some of these areas that require future work

VGC 2023 - Unveiling the dynamic Earth with digital methods: 5th Virtual Geoscience Conference: Book of Abstracts

Conference proceedings of the 5th Virtual Geoscience Conference, 21-22 September 2023, held in Dresden. The VGC is a multidisciplinary forum for researchers in geoscience, geomatics and related disciplines to share their latest developments and applications.:Short Courses 9 Workshops Stream 1 10 Workshop Stream 2 11 Workshop Stream 3 12 Session 1 – Point Cloud Processing: Workflows, Geometry & Semantics 14 Session 2 – Visualisation, communication & Teaching 27 Session 3 – Applying Machine Learning in Geosciences 36 Session 4 – Digital Outcrop Characterisation & Analysis 49 Session 5 – Airborne & Remote Mapping 58 Session 6 – Recent Developments in Geomorphic Process and Hazard Monitoring 69 Session 7 – Applications in Hydrology & Ecology 82 Poster Contributions 9

The LifeV library: engineering mathematics beyond the proof of concept

LifeV is a library for the finite element (FE) solution of partial differential equations in one, two, and three dimensions. It is written in C++ and designed to run on diverse parallel architectures, including cloud and high performance computing facilities. In spite of its academic research nature, meaning a library for the development and testing of new methods, one distinguishing feature of LifeV is its use on real world problems and it is intended to provide a tool for many engineering applications. It has been actually used in computational hemodynamics, including cardiac mechanics and fluid-structure interaction problems, in porous media, ice sheets dynamics for both forward and inverse problems. In this paper we give a short overview of the features of LifeV and its coding paradigms on simple problems. The main focus is on the parallel environment which is mainly driven by domain decomposition methods and based on external libraries such as MPI, the Trilinos project, HDF5 and ParMetis. Dedicated to the memory of Fausto Saleri.Comment: Review of the LifeV Finite Element librar

Fractal Analysis and Chaos in Geosciences

The fractal analysis is becoming a very useful tool to process obtained data from chaotic systems in geosciences. It can be used to resolve many ambiguities in this domain. This book contains eight chapters showing the recent applications of the fractal/mutifractal analysis in geosciences. Two chapters are devoted to applications of the fractal analysis in climatology, two of them to data of cosmic and solar geomagnetic data from observatories. Four chapters of the book contain some applications of the (multi-) fractal analysis in exploration geophysics. I believe that the current book is an important source for researchers and students from universities

CAVEMol: an immersive 3D molecule viewer

As the number of solved molecular structures deposited with the Protein Data Bank (PDB) increases, so too does the desire for more advanced ways of using this data. Traditional applications for viewing and manipulating molecular structures create a computer-generated model on a standard desktop computer screen. The display may employ some method of stereography to create the illusion of depth, but generally the user just sees a flat image. The user is able to interact with the molecule by magnifying it to see a particular area of interest, or by rotating it to see all sides of the molecule. The user may also be able to see animated changes in the molecule over time, or they may even be able to make modifications to the structure in real time. Regardless of the amount of control the user has over the molecule, however, one thing remains the same: the user experiences the molecule as though it were an object floating behind the monitor screen which they can indirectly control using a mouse or other pointing device. An immersive environment, on the other hand, provides a new paradigm for molecular visualization, allowing the user a much more realistic interaction with the molecule. The user becomes part of the viewing experience, traversing a molecule as though walking or flying within it. The molecule can completely surround them on all sides, giving them a true sense of the size and shape of the molecule in three dimensions. The user may also interact with the object directly, moving and rotating it with their hands rather than a mouse. This approach should prove particularly valuable for operations such as interactive docking, which allows a user to manipulate the interface between two molecules to identify favorable interaction sites. This thesis presents the design and implementation of CAVEMol, a molecular visualization application for immersive environments. I will also give an overview of molecular visualization and immersive environments, and then discuss future work that can be done in this area as well as applications where molecular visualization in an immersive environment can offer unique advantages

G-CSC Report 2010

The present report gives a short summary of the research of the Goethe Center for Scientific Computing (G-CSC) of the Goethe University Frankfurt. G-CSC aims at developing and applying methods and tools for modelling and numerical simulation of problems from empirical science and technology. In particular, fast solvers for partial differential equations (i.e. pde) such as robust, parallel, and adaptive multigrid methods and numerical methods for stochastic differential equations are developed. These methods are highly adanvced and allow to solve complex problems.. The G-CSC is organised in departments and interdisciplinary research groups. Departments are localised directly at the G-CSC, while the task of interdisciplinary research groups is to bridge disciplines and to bring scientists form different departments together. Currently, G-CSC consists of the department Simulation and Modelling and the interdisciplinary research group Computational Finance

Integrating Data Science and Earth Science

This open access book presents the results of three years collaboration between earth scientists and data scientists, in developing and applying data science methods for scientific discovery. The book will be highly beneficial for other researchers at senior and graduate level, interested in applying visual data exploration, computational approaches and scientifc workflows

Integrating Data Science and Earth Science

This open access book presents the results of three years collaboration between earth scientists and data scientist, in developing and applying data science methods for scientific discovery. The book will be highly beneficial for other researchers at senior and graduate level, interested in applying visual data exploration, computational approaches and scientifc workflows