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Predicting and enhancing inherent properties based on molecular structures is paramount to design tasks in medicine, materials science, and environmental management. Most of the current machine learning and deep learning approaches have…
In this introductory review, we focus on applications of quantum computation to problems of interest in physics and chemistry. We describe quantum simulation algorithms that have been developed for electronic-structure problems,…
Quantum computing is viewed as a promising technology because of its potential for polynomial growth in complexity, in contrast to the exponential growth observed in its classical counterparts. In the current Noisy Intermediate-Scale…
Quantum computing is an emerging field with growing implications across science and industry, making early educational exposure increasingly important. This paper examines how quantum computing concepts can be introduced into high-school…
As robots become increasingly prominent in diverse industrial settings, the desire for an accessible and reliable system has correspondingly increased. Yet, the task of meaningfully assessing the feasibility of introducing a new robotic…
Biology is perhaps the most complex of the sciences, given the incredible variety of chemical species that are interconnected in spatial and temporal pathways that are daunting to understand. Their interconnections lead to emergent…
Modeling electronic systems is an important application for quantum computers. In the context of materials science, an important open problem is the computational description of chemical reactions on surfaces. In this work, we outline a…
Simulating quantum mechanics is known to be a difficult computational problem, especially when dealing with large systems. However, this difficulty may be overcome by using some controllable quantum system to study another less controllable…
Making quantum mechanical equations and concepts come to life through interactive simulation and visualization are commonplace for augmenting learning and teaching. However, graphical visualizations nearly always exhibit a set of hard-coded…
Fundamental concepts of thermodynamics rely on abstract physical quantities such as energy, heat and entropy, which play an important role in the process of interpreting thermal phenomena and statistical mechanics. However, these quantities…
Bosonic quantum devices offer a novel approach to realize quantum computations, where the quantum two-level system (qubit) is replaced with the quantum (an)harmonic oscillator (qumode) as the fundamental building block of the quantum…
With a growing interest in quantum technology globally, there is an increasing need for accessing relevant physical systems for education and research. In this paper we introduce a commercially available on-site quantum computer utilizing…
Quantum machine learning algorithms are expected to play a pivotal role in quantum chemistry simulations in the immediate future. One such key application is the training of a quantum neural network to learn the potential energy surface and…
The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owing to the exponential growth of classical resource…
The development of a workshop using the language, techniques, and processes of visual art to introduce particle physics concepts is described. Innovative delivery methods committed to the interaction and collaboration of different…
Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…
The milq approach to quantum physics for high schools focuses on the conceptual questions of quantum physics. Students should be given the opportunity to engage with the world view of modern physics. The aim is to achieve a conceptually…
Molecular visualization software has long supported research and education in chemical and structural sciences, but consumer devices constrained to 2D inputs and outputs pose two major challenges: they poorly convey 3D nature, and 3D…
The purpose of this note is to introduce the CUBE, a virtual reality immersion that was developed to help visualize electromagnetic fields, particularly the less familiar radiation fields students typically encounter in upper level physics…
This paper provides a simulated laboratory for making use of Reinforcement Learning (RL) for chemical discovery. Since RL is fairly data intensive, training agents `on-the-fly' by taking actions in the real world is infeasible and possibly…