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The advent of hybrid computing platforms consisting of quantum processing units integrated with conventional high-performance computing brings new opportunities for algorithm design. By strategically offloading select portions of the…
Electrodeposition is a fundamental process in electrochemistry, and has applications in numerous industries, such as corrosion protection, decorative finishing, energy storage, catalysis, and electronics. While there is a long history of…
From more than half a century ago indexing scientific articles has been studied intensively to provide a more efficient data retrieval and to conserve researchers invaluable time. In the last two decades with the emergence of the World Wide…
A first step toward a multi-scale and multi-physic model --a virtual material-- for self-healing ceramic matrix composites is presented. Each mechanism --mechanical, chemical-- that act on the material's lifetime at a given scale --fibre,…
Advances in multimodal characterization methods fuel a generation of increasing immense hyper-dimensional datasets. Color mapping is employed for conveying higher dimensional data in two-dimensional (2D) representations for human…
Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…
Quantum computers promise to impact industrial applications, for which quantum chemical calculations are required, by virtue of their high accuracy. This perspective explores the challenges and opportunities of applying quantum computers to…
Simulating chemical systems on quantum computers has been limited to a few electrons in a minimal basis. We demonstrate experimentally that the virtual quantum subspace expansion [Phys. Rev. X 10, 011004 (2020)] can achieve full basis…
Computational study of molecules and materials from first principles is a cornerstone of physics, chemistry, and materials science, but limited by the cost of accurate and precise simulations. In settings involving many simulations, machine…
Researchers in the humanities are among the many who are now exploring the world of big data. They have begun to use programming languages like Python or R and their corresponding libraries to manipulate large data sets and discover brand…
The output of an automated theorem prover is usually presented by using a text format, they are often too heavy to be understood. In model checking setting, it would be helpful if one can observe the structure of models and the verification…
Spatial visualisation skills and interpretations are critical in the design professions, but traditionally difficult to effectively teach. Visualization and multimedia presentation studies show positive improvements in learner outcomes for…
Visualization is a useful technology in health science, and especially for community network analysis. Because visualization applications in healthcare are typically risk-averse, health psychologists can play a significant role in ensuring…
Information Visualization techniques are built on a context with many factors related to both vision and cognition, making it difficult to draw a clear picture of how data visually turns into comprehension. In the intent of promoting a…
The best way to understand complex data structures or algorithm is to see them in action. The present work presents a new tool, especially useful for students and lecturers in computer science. It is written in Java and developed at…
The advent of electronic computers has revolutionised the application of statistical mechanics to the liquid state. Computers have permitted, for example, the calculation of the phase diagram of water and ice and the folding of proteins.…
Virtual Observatories (VOs) are online hubs of scientific knowledge. They encompass a collection of platforms dedicated to the storage and dissemination of astronomical data, from simple data archives to e-research platforms offering…
Physics students now have access to interactive molecular dynamics simulations that can model and animate the motions of hundreds of particles, such as noble gas atoms, that attract each other weakly at short distances but repel strongly…
The chemistry of an astrophysical environment is closely coupled to its dynamics, the latter often found to be complex. Hence, to properly model these environments a 3D context is necessary. However, solving chemical kinetics within a 3D…
The development of chemical engineering technology is a multi-stage process that encompasses laboratory research, scaling up, and industrial deployment. This process demands interdisciplinary col laboration and typically incurs significant…