Related papers: Electronic Visualisation in Chemistry: From Alchem…
At the frontier of most areas in science, computer simulations play a central role. The traditional division of natural science into experimental and theoretical investigations is now completely outdated. Instead, theory, simulation, and…
Significant progress in the development of efficient and fast algorithms for quantum chemical calculations has been made in the past two decades. The main focus has always been the desire to be able to treat ever larger molecules or…
Computation, the use of a computer to solve, simulate, or visualize a physical problem, has revolutionized how physics research is done. Computation is used widely to model systems, to simulate experiments, and to analyze data. Yet, in most…
The potential of virtual reality (VR) to contribute to drug design and development has been recognised for many years. Hardware and software developments now mean that this potential is beginning to be realised, and VR methods are being…
Physical representations of data offer physical and spatial ways of looking at, navigating, and interacting with data. While digital fabrication has facilitated the creation of objects with data-driven geometry, rendering data as a…
Interactive visualization and simulation of astrophysical phenomena help astronomers and enable digital planetariums and television documentaries to take their spectators on a journey into deep space to explore the astronomical wonders of…
An adventure at engineering design and modeling is possible with a Virtual Reality Environment (VRE) that uses multiple computer-generated media to let a user experience situations that are temporally and spatially prohibiting. In this…
Editing particle-system visual effects (VFX) is vital for digital storytelling, but achieving controllable, art-directable results remains challenging due to their multi-dimensional nature. Given a large collection of parameters, users must…
Buildings are beautiful mathematical objects tying a variety of subjects in algebra and geometry together in a very direct sense. They form a natural bridge to visualising more complex principles in group theory. As such they provide an…
Graphs are central to the chemical sciences, providing a natural language to describe molecules, proteins, reactions, and industrial processes. They capture interactions and structures that underpin materials, biology, and medicine. This…
Bold colour images from telescopes act as extraordinary ambassadors for research astronomers because they pique the public's curiosity. But are they snapshots documenting physical reality? Or are we looking at artistic spacescapes created…
In dense clusters a bewildering variety of interactions between stars can be observed, ranging from simple encounters to collisions and other mass-transfer encounters. With faster and special-purpose computers like GRAPE, the amount of data…
The QuVis Quantum Mechanics Visualization project aims to address challenges of quantum mechanics instruction through the development of interactive simulations for the learning and teaching of quantum mechanics. In this article, we…
In this work we show how constructing Wigner functions of heterogeneous quantum systems leads to new capability in the visualization of quantum states of atoms and molecules. This method allows us to display quantum correlations…
Using quantum systems to efficiently solve quantum chemistry problems is one of the long-sought applications of near-future quantum technologies. In a recent work, ultra-cold fermionic atoms have been proposed for these purposes by showing…
We introduce MetaChem, a language for representing and implementing Artificial Chemistries. We motivate the need for modularisation and standardisation in representation of artificial chemistries. We describe a mathematical formalism for…
Large Language Models (LLMs) have revolutionized natural language processing by generating human-like text and images from textual input. However, their potential to generate complex 2D/3D visualizations has been largely unexplored. We…
Visual scene understanding is a fundamental task in computer vision that aims to extract meaningful information from visual data. It traditionally involves disjoint and specialized algorithms for different tasks that are tailored for…
We discuss models that astrochemists have developed to study the chemical composition of the interstellar medium. These models aim at computing the evolution of the chemical composition of a mixture of gas and dust under as- trophysical…
Over the last few decades, quantum chemistry has progressed through the development of computational methods based on modern digital computers. However, these methods can hardly fulfill the exponentially-growing resource requirements when…