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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…

Chemical Physics · Physics 2012-12-18 Moritz P. Haag , Markus Reiher

The traditional pedagogical paradigm in physics is based on a deductive approach. However, with the recent advances in information technology, we are facing a dramatic increase in the amount of readily available information; hence, the…

Physics Education · Physics 2020-06-24 V. G. Karpov , Maria Patmiou

Elucidating chemical reactivity in complex molecular assemblies of a few hundred atoms is, despite the remarkable progress in quantum chemistry, still a major challenge. Black-box search methods to find intermediates and transition-state…

Chemical Physics · Physics 2014-10-16 Moritz P. Haag , Alain C. Vaucher , Mael Bosson , Stephane Redon , Markus Reiher

In this article, we have proposed an educational learning material model using 360-degree environment on web-based platform by personalizing the learning environment as per user surf the web. Virtual Machinery Workshop allow an illusionary…

Computers and Society · Computer Science 2019-05-01 Prayitno , Anwar Sukito Ardjo , Liliek Triyono , Bambang Kuswanto

In order to describe natural phenomena, science develops sophisticated models that use mathematical and formal languages which seem, and often are, very far from common experience. When a phenomenon is not accessible to our senses, its…

Physics Education · Physics 2016-01-08 Vera Montalbano

In the present work we intend to introduce a system based on VR (Virtual Reality) for examining analytical-geometric structures that occur in the study of mathematics and physics concepts in the last high school classes. In our opinion, an…

Physics Education · Physics 2021-11-04 Marco Simonetti , Damiano Perri , Natale Amato , Osvaldo Gervasi

We present an investigation of game-like simulations for physics teaching. We report on the effectiveness of the interactive simulation "Real Time Relativity" for learning special relativity. We argue that the simulation not only enhances…

Physics Education · Physics 2010-08-19 C. M. Savage , D. McGrath , T. J. McIntyre , M. Wegener , M. Williamson

Practical challenges in simulating quantum systems on classical computers have been widely recognized in the quantum physics and quantum chemistry communities over the past century. Although many approximation methods have been introduced,…

Accurate simulation of dynamical processes in molecules and reactions is among the most challenging problems in quantum chemistry. Quantum computers promise efficient chemical simulation, but the existing quantum algorithms require many…

Accurate simulations of molecules require high-level electronic-structure theory in combination with rigorous methods for approximating the quantum dynamics. Machine-learning approaches can significantly reduce the computational expense of…

Chemical Physics · Physics 2026-02-24 Valerii Andreichev , Jindra Dušek , Markus Meuwly , Jeremy O. Richardson

Quantum entanglement remains a challenging concept to teach and visualise due to its microscopic and non-classical nature. We present innovative educational demonstration material consisting of electronic dice that simulate the properties…

Physics Education · Physics 2025-12-23 B. Folkers , A. van Rossum , A. Brinkman , H. K. E. Stadermann

Recent advancements in virtual reality (VR) technology have enabled the creation of immersive learning environments that provide engineering students with hands-on, interactive experiences. This paper presents a novel framework for virtual…

Human-Computer Interaction · Computer Science 2026-03-30 Rafael Padilla , Özgür Keleş

Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations. While these models supply fast and accurate predictions of atomistic chemical…

Chemical Physics · Physics 2019-06-25 K. T. Schütt , M. Gastegger , A. Tkatchenko , K. -R. Müller , R. J. Maurer

Quantum science and computing represent a vital intersection between science and technology, gaining increasing importance in modern society. There is a pressing need to incorporate these concepts into the K-12 curriculum, equipping new…

A virtual learning environment can engage university students in the learning process in ways that the traditional lectures and lab formats can not. We present our virtual learning environment \emph{StudentResearcher} which incorporates…

We present a practical course targeting graduate students with prior knowledge of the basics of quantum computing. The practical aims to deepen students' understanding of fundamental concepts in quantum computing by implementing quantum…

Physics Education · Physics 2025-11-24 Florian Krötz , Xiao-Ting Michelle To , Korbinian Staudacher , Dieter Kranzlmüller

Quantum computing, an innovative computing system carrying prominent processing rate, is meant to be the solutions to problems in many fields. Among these realms, the most intuitive application is to help chemical researchers correctly…

Quantum Physics · Physics 2022-12-29 Qingchun Wang , Huan-Yu Liu , Qing-Song Li , Jianyu Zhao , Qiankun Gong , Ye Li , Yu-Chun Wu , Guo-Ping Guo

Training students in basic concepts of physics, such as the ones related to mass, volume, or density, is much more complicated than just stating the underlying definitions and laws. One of the reasons for this is that most students have…

Graphics · Computer Science 2024-01-31 Iuliia Zhurakovskaia , Jeanne Vézien , Cécile de Hosson , Patrick Bourdot

Prior research has demonstrated how the realist perspectives of classical physics students can translate into specific beliefs about quantum phenomena when taking an introductory modern physics course. Student beliefs regarding the…

Physics Education · Physics 2011-08-29 Charles Baily , Noah D. Finkelstein

Machine learning models are poised to make a transformative impact on chemical sciences by dramatically accelerating computational algorithms and amplifying insights available from computational chemistry methods. However, achieving this…

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