Interactive Chemical Reactivity Exploration

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 structures might fail in such situations because of the high-dimensionality of the potential energy surface. Here, we propose the concept of interactive chemical reactivity exploration to effectively introduce the chemist's intuition into the search process. We employ a haptic pointer device with force-feedback to allow the operator the direct manipulation of structures in three dimensions along with simultaneous perception of the quantum mechanical response upon structure modification as forces. We elaborate on the details of how such an interactive exploration should proceed and which technical difficulties need to be overcome. All reactivity-exploration concepts developed for this purpose have been implemented in the Samson programming environment.Comment: 36 pages, 14 figure

Trends in virtual reality technologies for the learning patient

NextMed convened the Medicine Meets Virtual Reality 22 (MMVR 22) conference in 2016. Since 1992, the conference has brought together a diverse group of researchers to share creative solutions for the evolving challenge of integrating virtual reality tools into medical education. Virtual reality (VR) and its enabling technologies utilize hardware and software to simulate environments and encounters where users can interact and learn. The MMVR 22 symposium proceedings contain projects that support a variety of learners: medical students, practitioners, soldiers, and patients. This report will contemplate the trends in virtual reality technologies for patients navigating their medical and healthcare learning. The learning patient seeks more than intervention; they seek prevention. From virtual humans and environments to motion sensors and haptic devices, patients are surrounded by increasingly rich and transformative data-driven tools. Applied data enables VR applications to simulate experience, predict health outcomes, and motivate new behavior. The MMVR 22 presents investigations into the usability of wearable devices, the efficacy of avatar inclusion, and the viability of multi-player gaming. With increasing need for individualized and scalable programming, only committed open source efforts will align instructional designers, technology integrators, trainers, and clinicians. Curriculum and InstructionCurriculum and Instructio

Perceiving Mass in Mixed Reality through Pseudo-Haptic Rendering of Newton's Third Law

In mixed reality, real objects can be used to interact with virtual objects. However, unlike in the real world, real objects do not encounter any opposite reaction force when pushing against virtual objects. The lack of reaction force during manipulation prevents users from perceiving the mass of virtual objects. Although this could be addressed by equipping real objects with force-feedback devices, such a solution remains complex and impractical.In this work, we present a technique to produce an illusion of mass without any active force-feedback mechanism. This is achieved by simulating the effects of this reaction force in a purely visual way. A first study demonstrates that our technique indeed allows users to differentiate light virtual objects from heavy virtual objects. In addition, it shows that the illusion is immediately effective, with no prior training. In a second study, we measure the lowest mass difference (JND) that can be perceived with this technique. The effectiveness and ease of implementation of our solution provides an opportunity to enhance mixed reality interaction at no additional cost

User quality of experience of mulsemedia applications

User Quality of Experience (QoE) is of fundamental importance in multimedia applications and has been extensively studied for decades. However, user QoE in the context of the emerging multiple-sensorial media (mulsemedia) services, which involve different media components than the traditional multimedia applications, have not been comprehensively studied. This article presents the results of subjective tests which have investigated user perception of mulsemedia content. In particular, the impact of intensity of certain mulsemedia components including haptic and airflow on user-perceived experience are studied. Results demonstrate that by making use of mulsemedia the overall user enjoyment levels increased by up to 77%

Modeling and rendering for development of a virtual bone surgery system

A virtual bone surgery system is developed to provide the potential of a realistic, safe, and controllable environment for surgical education. It can be used for training in orthopedic surgery, as well as for planning and rehearsal of bone surgery procedures...Using the developed system, the user can perform virtual bone surgery by simultaneously seeing bone material removal through a graphic display device, feeling the force via a haptic deice, and hearing the sound of tool-bone interaction --Abstract, page iii