Related papers: Immersive Interactive Quantum Mechanics for Teachi…
Chemists now routinely use software as part of their work. For example, virtual chemistry allows chemical reactions to be simulated. In particular, a selection of software is available for the visualisation of complex 3-dimensional…
A common learning goal for modern physics instructors is for students to recognize a difference between the experimental uncertainty of classical physics and the fundamental uncertainty of quantum mechanics. Our prior work has shown that…
This is a report of a course on modern physics designed and taught to undergraduate science and engineering students in the Spring of 2013. The course, meant for freshmen, attempts to integrate statistical mechanics into non-classical…
Quantum mechanics is difficult to learn because it is counterintuitive, hard to visualize, mathematically challenging, and abstract. The Physics Education Technology (PhET) Project, known for its interactive computer simulations for…
Quantum computing has recently exhibited great potentials in predicting chemical properties for various applications in drug discovery, material design, and catalyst optimization. Progress has been made in simulating small molecules, such…
With the rapid development of quantum technology, one of the leading applications is the simulation of chemistry. Interestingly, even before full scale quantum computers are available, quantum computer science has exhibited a remarkable…
Quantum information, a field in which great advances have been made in the past decades, now presents opportunities for chemistry. One roadblock to progress, especially for experimental chemical science, is that new concepts and technical…
Quantum information science and technology is a rapidly growing interdisciplinary field drawing researchers from science and engineering fields. Traditional instruction in quantum mechanics is insufficient to prepare students for research…
We argue here for a more conceptual or qualitative approach in the introductory teaching of Quantum Physics which is built on the basis of epistemological and ontological discussions and as such is a valuable tool mainly in the initial and…
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…
The advent of simulation engines has revolutionized learning and operational efficiency for robots, offering cost-effective and swift pipelines. However, the lack of a universal simulation platform tailored for chemical scenarios impedes…
This article reports prototype web apps that use commodity, open-source technologies for augmented and virtual reality to provide immersive, interactive human-computer interfaces for chemistry, structural biology and related disciplines.…
Over the past decades, atomistic simulations of chemical, biological and materials systems have become increasingly precise and predictive thanks to the development of accurate and efficient techniques that describe the quantum mechanical…
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…
Due to the intrinsic complexity and nonlinearity of chemical reactions, direct applications of traditional machine learning algorithms may face with many difficulties. In this study, through two concrete examples with biological background,…
Machine learning techniques applied to chemical reactions has a long history. The present contribution discusses applications ranging from small molecule reaction dynamics to platforms for reaction planning. ML-based techniques can be of…
We investigate whether chemical processes can perform in-context learning (ICL), a mode of computation typically associated with transformer architectures. ICL allows a system to infer task-specific rules from a sequence of examples without…
Atomistic simulations using accurate energy functions can provide molecular-level insight into functional motions of molecules in the gas- and in the condensed phase. Together with recently developed and currently pursued efforts in…
Ultrafast chemical reactions are difficult to simulate because they involve entangled, many-body wavefunctions whose computational complexity grows rapidly with molecular size. In photochemistry, the breakdown of the Born-Oppenheimer…
We present a tele-immersive system that enables people to interact with each other in a virtual world using body gestures in addition to verbal communication. Beyond the obvious applications, including general online conversations and…