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Augmented Reality is a topic of foremost interest nowadays. Its main goal is to seamlessly blend virtual content in real-world scenes. Due to the lack of computational power in mobile devices, rendering a virtual object with high-quality,…
RNA function is deeply intertwined with its conformational dynamics. In this review, we survey recent advances in the use of atomistic molecular dynamics simulations to characterize RNA dynamics in diverse contexts, including isolated…
Rendering huge biological scenes with atomistic detail presents a significant challenge in molecular visualization due to the memory limitations inherent in traditional rendering approaches. In this paper, we propose a novel method for the…
Understanding protein dynamics are essential for deciphering protein functional mechanisms and developing molecular therapies. However, the complex high-dimensional dynamics and interatomic interactions of biological processes pose…
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…
As immersive technologies evolve, immersive computational notebooks offer new opportunities for interacting with code, data, and outputs. However, scaling these environments remains a challenge, particularly when analysts manually arrange…
The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and biochemical systems, with substantial impacts on the fields of…
Mixed Reality (MR) increasingly explores how virtual elements can shape physical behavior, yet how MR objects guide group movement remains underexplored. We address this gap by examining how virtual objects can nudge collective, co-located…
Molecular dynamics simulation is a proven technique for computing and visualizing the time-resolved motion of macromolecules at atomic resolution. The MDsrv is a tool that streams MD trajectories and displays them interactively in web…
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
Incorporating accurate physics-based simulation into interactive design tools is challenging. However, adding the physics accurately becomes crucial to several emerging technologies. For example, in virtual/augmented reality (VR/AR) videos,…
The powerful molecular dynamics (MD) simulation is basically based on a picture that the atoms experience classical-like trajectories under the exertion of classical force field determined by the quantum mechanically solved electronic…
As consumer Virtual Reality (VR) and Mixed Reality (MR) technologies gain momentum, there's a growing focus on the development of engagements with 3D virtual content. Unfortunately, traditional techniques for content creation, editing, and…
Ultra-precision machining of metals, the breaking of nanowires under tensile stress and fracture of nanoscale materials are examples of technologically important processes which are both extremely difficult and costly to investigate…
This paper presents an interaction model adapted to mixed reality environments known as IRVO (Interacting with Real and Virtual Objects). IRVO aims at modeling the interaction between one or more users and the Mixed Reality system by…
We present a novel volumetric animation generation framework to create new types of animations from raw 3D surface or point cloud sequence of captured real performances. The framework considers as input time incoherent 3D observations of a…
Scientific computing applications have benefited greatly from high performance computing infrastructure such as supercomputers. However, we are seeing a paradigm shift in the computational structure, design, and requirements of these…
Real-time synthesis of physically plausible human interactions remains a critical challenge for immersive VR/AR systems and humanoid robotics. While existing methods demonstrate progress in kinematic motion generation, they often fail to…
Combined-resolution simulations are an effective way to study molecular properties across a range of length- and time-scales. These simulations can benefit from adaptive boundaries that allow the high-resolution region to adapt (change size…
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…