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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…

Chemical Physics · Physics 2025-09-05 Luciano A. Abriata

During VR demos we have performed over last few years, many participants (in the absence of any haptic feedback) have commented on their perceived ability to 'feel' differences between simulated molecular objects. The mechanisms for such…

Human-Computer Interaction · Computer Science 2020-05-08 Rhoslyn Roebuck Williams , Xan Varcoe , Becca R. Glowacki , Ella M. Gale , Alexander Jamieson-Binnie , David R. Glowacki

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…

Biomolecules · Quantitative Biology 2022-02-09 Rebecca K. Walters , Ella M. Gale , Jonathan Barnoud , David R. Glowacki , Adrian J. Mulholland

Mixed Reality (MR) and Virtual Reality (VR) simulations are hampered by requirements for hand controllers or attempts to perseverate in use of two-dimensional computer interface paradigms from the 1980s. From our efforts to produce more…

Human-Computer Interaction · Computer Science 2023-08-16 Thomas B Talbot , Chinmay Chinara

The ability to precisely visualize the atomic geometry of the interactions between a drug and its protein target in structural models is critical in predicting the correct modifications in previously identified inhibitors to create more…

Biomolecules · Quantitative Biology 2018-08-14 Erick Martins Ratamero , Dom Bellini , Christopher G. Dowson , Rudolf A. Roemer

MolecularWebXR is our new website for education, science communication and scientific peer discussion in chemistry and biology built on WebXR. It democratizes multi-user, inclusive virtual reality (VR) experiences that are deeply immersive…

Molecular dynamics (MD) simulations provide crucial insight into molecular interactions and biomolecular function. With interactive MD simulations in VR (iMD-VR), chemists can now interact with these molecular simulations in real-time. Our…

Human-Computer Interaction · Computer Science 2024-09-13 Rhoslyn Roebuck Williams , Jonathan Barnoud , Luis Toledo , Till Holzapfel , David R. Glowacki

Interaction in virtual reality (VR) environments is essential to achieve a pleasant and immersive experience. Most of the currently existing VR applications, lack of robust object grasping and manipulation, which are the cornerstone of…

Virtual reality is expected to play a significant role in the transformation of education and psychological studies. The possibilities for its application as a visual research method can be enhanced as established frameworks and toolkits…

Human-Computer Interaction · Computer Science 2023-10-24 Corrie Green , Chloë Farr , Yang Jiang

Virtual reality (VR) is increasingly used to enhance the ecological validity of motor control and learning studies by providing immersive, interactive environments with precise motion tracking. However, designing realistic VR-based motor…

Quantitative Methods · Quantitative Biology 2025-05-01 Cristina Rossi , Rini Varghese , Amy J Bastian

This work-in-progress paper discusses the use of student-centered pedagogy to teach clinical oculomotor examination via Virtual Reality (VR). Traditional methods, such as PowerPoint slides and lab activities, are often insufficient for…

Computational Engineering, Finance, and Science · Computer Science 2024-05-28 Austin Finlayson , Rui Wu , Chia-Cheng Lin , Brian Sylcott

As VR finds increasing application in scientific research domains like nanotechnology and biochemistry, we are beginning to better understand the domains in which it brings the most benefit, as well as the gestures and form factors that are…

Human-Computer Interaction · Computer Science 2020-05-06 Rachel Freire , Becca Rose Glowacki , Rhoslyn Roebuck Williams , Mark Wonnacott , Alexander Jamieson-Binnie , David R. Glowacki

A cluster of research in Affective Computing suggests that it is possible to infer some characteristics of users' affective states by analyzing their electrophysiological activity in real-time. However, it is not clear how to use the…

Human-Computer Interaction · Computer Science 2022-11-22 Andres Pinilla , Jaime Garcia , William Raffe , Jan-Niklas Voigt-Antons , Robert Spang , Sebastian Möller

As the internet of things (IoT) has integrated physical and digital technologies, designing for multiple sensory media (mulsemedia) has become more attainable. Designing technology for multiple senses has the capacity to improve virtual…

Human-Computer Interaction · Computer Science 2018-04-03 Alina Striner

Virtual Reality (VR) is increasingly used for training and demonstration purposes including a variety of applications ranging from robot learning to rehabilitation. However, the choice of input device and its visualization might influence…

Human-Computer Interaction · Computer Science 2026-02-12 Robin Beierling , Manuel Scheibl , Jonas Dech , Abhijit Vyas , Anna-Lisa Vollmer

Due to the still relatively low number of users, acquiring large-scale and multidimensional virtual reality datasets remains a significant challenge. Consequently, VR datasets comparable in size to state-of-the-art collections in natural…

Human-Computer Interaction · Computer Science 2024-12-24 Tim Rolff , Niklas Hypki , Markus Lappe , Frank Steinicke

We describe a framework for interactive molecular dynamics in a multiuser virtual reality environment, combining rigorous cloud-mounted physical atomistic simulation with commodity virtual reality hardware, which we have made accessible to…

We present PhyShare, a new haptic user interface based on actuated robots. Virtual reality has recently been gaining wide adoption, and an effective haptic feedback in these scenarios can strongly support user's sensory in bridging virtual…

Human-Computer Interaction · Computer Science 2017-08-15 Zhenyi He , Fengyuan Zhu , Ken Perlin

We present Virtual Elastic Objects (VEOs): virtual objects that not only look like their real-world counterparts but also behave like them, even when subject to novel interactions. Achieving this presents multiple challenges: not only do…

Computer Vision and Pattern Recognition · Computer Science 2022-01-13 Hsiao-yu Chen , Edgar Tretschk , Tuur Stuyck , Petr Kadlecek , Ladislav Kavan , Etienne Vouga , Christoph Lassner

Molecular Dynamics (MD) simulations are ubiquitous in cutting-edge physio-chemical research. They provide critical insights into how a physical system evolves over time given a model of interatomic interactions. Understanding a system's…

Computational Physics · Physics 2023-09-06 Rostyslav Hnatyshyn , Jieqiong Zhao , Danny Perez , James Ahrens , Ross Maciejewski
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