Molecular dynamics (MD) is a computer simulation method for studying the physical movements of atoms and molecules. The MD method can assist one in obtaining the static quantities and dynamic quantities. This method gives a route to dynamical properties of the system: transport coefficients, time-dependent responses to perturbations, rheological properties and spectra. The atoms and molecules...
Offshore wind energy is the most commercially and technologically developed marine renewable energy. Conversely, the potential impacts of climate change and variability on future wind energy remains poorly understood, including shifts and variations in the general wind pattern. Therefore, this project seeks to model the impacts of climate change scenarios on the potential offshore wind energy...
This workshop will focus on the integration of geospatial datasets, and deep
learning algorithms for real-time monitoring and forecasting of offshore wind
energy. The session will cover the framework for data retrieval, pre-processing,
integration of remotely sensed datasets and the development of predictive models
to optimize wind turbine performance. After developing the predictive...
GULP is one of the leading materials software for modelling materials using the method of interatomic potentials, likewise CASTEP and CP2K are two of the leading electronic structure codes for modelling materials. In this workshop the theory and a practical guide to how these can be employed to exploit HPC will be taught by developers of these codes.
The ChemShell computational chemistry...
This practical introduction to quantum computing aims to offer a foundational understanding of key quantum computing concepts, algorithms, and practical applications. The lectures will cover the basics of quantum computing including qubits, entanglement, and quantum gates, as well as an introduction to quantum circuits. As an example, we will explore in the tutorial the quantum dynamics of a...
Windows Subsystem for Linux (WSL) is a feature of the Windows operating system that enables you to run a Linux file system, along with Linux command-line tools and graphical user interface (GUI) applications, directly on Windows. Unlike conventional virtual machines such as those run with Oracle Virtualbox or VMWare, WSL requires fewer resources (CPU, memory and storage) and can access all the...
Despite significant advancements in the energy industry over the past decade, most global regions still face challenges in ensuring the security and supply of fossil fuels. The challenge in wind power usage is identifying the optimal location for turbine installation to maximize energy generation while minimizing environmental and socioeconomic impacts. This study aims to explore a data-driven...
In this workshop we explore some of the available quantum algorithms designed for data analysis. Specifically, our focus will be on hybrid quantum machine learning, a paradigm integrating classical machine learning models with quantum algorithms. We will also examine techniques for integrating quantum models into pre-existing machine learning workflows, using transfer learning as an example....
