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Macroscopic systems of hydrogen molecules exhibit a rich thermodynamic phase behavior. Due to the simplicity of the molecular constituents a detailed exploration of the thermal properties of these boson systems at low temperatures is of…
Image-based computational fluid dynamics (CFD) has emerged as a powerful tool to study cardiovascular flows while 2D echocardiography (echo) is the most widely used non-invasive imaging modality for diagnosis of heart disease. Here, echo is…
All-atom molecular dynamics has been recently proven a useful tool for the study of supramolecular polymers. While the high resolution offered by the atomistic models may allow for deep comprehension of the assembled structure, obtaining a…
TurboGAP is a software package designed for efficient molecular dynamics simulations using Gaussian Approximation Potential (GAP) machine-learning interatomic potentials (MLIP). In this work, we enhance the capabilities of TurboGAP for…
Numerical methods for the simulation of cavitation processes have been developed for more than 50 years. The rich variety of physical phenomena triggered by the collapse of a bubble has several applications in medicine and environmental…
Ultrasound videos are an important form of clinical imaging data, and deep learning-based automated analysis can improve diagnostic accuracy and clinical efficiency. However, the scarcity of labeled data and the inherent challenges of video…
We present a new Matlab toolbox for generating phase and amplitude patterns for digital micro-mirror device (DMD) and liquid crystal (LC) based spatial light modulators (SLMs). This toolbox consists of a collection of algorithms commonly…
Reliable risk assessment for carotid atheromatous disease remains a major clinical challenge, as it requires integrating diverse clinical and imaging information in a manner that is transparent and interpretable to clinicians. This study…
Computer modeling can provide quantitative insight into cardiac fluid dynamics phenomena that are not evident from standard imaging tools. We propose a new approach to modeling left ventricle fluid dynamics based on an image-driven…
The row-column addressed array is an emerging probe for ultrafast 3-D ultrasound imaging. It achieves this with far fewer independent electronic channels and a wider field of view than traditional 2-D matrix arrays, of the same channel…
Simulating atomic-scale processes, such as protein dynamics and catalytic reactions, is crucial for advancements in biology, chemistry, and materials science. Machine learning force fields (MLFFs) have emerged as powerful tools that achieve…
In this paper, a phase-change model based on a geometric Volume-of-Fluid (VOF) framework is extended to simulate nucleate boiling with a resolved microlayer and conjugate heat transfer. Heat conduction in both the fluid and solid domains is…
Ultrasound echocardiography is essential for the non-invasive, real-time assessment of cardiac function, but the scarcity of labelled data, driven by privacy restrictions and the complexity of expert annotation, remains a major obstacle for…
We present the molecular hyperdynamics algorithm and its implementation to the nonorthogonal tight-binding model NTBM and the corresponding software. Due to its multiscale structure, the proposed approach provides the long time scale…
A recent development, called isogeometric analysis, provides a unified approach for design, analysis and optimization of functional products in industry. Traditional volume rendering methods for inspecting the results from the numerical…
In recent years, ultracold atoms in optical lattices have proven their great value as quantum simulators for studying strongly correlated phases and complex phenomena in solid-state systems. Here we reveal their potential as quantum…
We present teraflop-scale calculations of biomolecular electrostatics enabled by the combination of algorithmic and hardware acceleration. The algorithmic acceleration is achieved with the fast multipole method (FMM) in conjunction with a…
High-fidelity simulation is essential for robotics research, enabling safe and efficient testing of perception, control, and navigation algorithms. However, achieving both photorealistic rendering and accurate physics modeling remains a…
Recent advances in cellular research demonstrate that scRNA-seq characterizes cellular heterogeneity, while spatial transcriptomics reveals the spatial distribution of gene expression. Cell representation is the fundamental issue in the two…
This paper introduces a random-batch molecular dynamics (RBMD) package for fast simulations of particle systems at the nano/micro scale. Different from existing packages, the RBMD uses random batch methods for nonbonded interactions of…