Upcoming exascale architectures require rethinking of the numerical algorithms used in large-scale PDE-based applications. These architectures favor algorithms, such as high-order finite elements, that expose fine-grain parallelism and maximize the […]
This is a quick introduction to neural ODEs for scientific applications. The goal is to (a) provide a modelling tool that enhances the expressivity of existing theory-driven approaches, (b) demonstrate […]
Many studies adopt low-resolution, coarse-grained (CG) models to investigate polymers, proteins, and other soft materials. These studies must first specify the details that are retained in the low-resolution model, i.e., […]
The predictive capabilities of turbulent flow simulations, critical for aerodynamic design and weather prediction, hinge on the choice of turbulence models. The abundance of data from experiments and simulations and […]
Computers can be programmed for superhuman pattern recognition of images and text; however, their application in biology and medicine is still in its infancy. In this talk, I will discuss […]
Technology is dramatically driving down the cost of sequencing genetic data and increasing the quality of predictions made with this data. A standard concern is that these predictions could impair […]
Many relevant engineering fluid dynamics problems, such as turbulent flow over an airplane or transport processes in geophysical flows, contain wall-bounded regions that form boundary layers. Oftentimes, numerical and experimental […]
Accurate prediction of high-Reynolds-number wall-bounded turbulent flows is essential for the understanding and flow control of many engineering applications such as aircraft, turbomachinery, and marine vehicles. Additionally, most practical flows […]
Materials properties are governed by the structure and dynamics of the bonds between their constituent atoms. In addition to covalent, metallic, and ionic interactions that we typically think about, lone […]
Mass spectrometry-based methods such as covalent labeling, surface induced dissociation (SID) or ion mobility (IM) are increasingly used to obtain information about protein structure. However, in contrast to other high-resolution […]
