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PICS Colloquium: “Exploring the landscape of model representations”

PICS Conference Room 534 - A Wing , 5th Floor 3401 Walnut Street, Philadelphia, PA, United States

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., they must specify the “CG representation.” Unfortunately, the “best” representation for complex systems is not always obvious. In this study, we systematically explore the space […]

PICS Colloquium: “Wall-models of turbulent flows via scientific multi-agent reinforcement learning”

PICS Conference Room 534 - A Wing , 5th Floor 3401 Walnut Street, Philadelphia, PA, United States

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 the advent of machine learning have provided a boost to turbulence modeling efforts. However, simulations of turbulent flows remain hindered by the inability of heuristics […]

MEAM Seminar: “AI for Antibiotic Discovery”

Wu and Chen Auditorium (Room 101), Levine Hall 3330 Walnut Street, Philadelphia, PA, United States

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 our advances over the past half-decade, which are accelerating discoveries in the crucial and underinvested area of antibiotic discovery. We developed the first antibiotic designed […]

PICS Colloquium: “Genetic testing and adverse selection”

PICS Conference Room 534 - A Wing , 5th Floor 3401 Walnut Street, Philadelphia, PA, United States

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 the functioning of insurance markets, either because insurers would abuse genetic information or because of adverse selection. We make three contributions. First, we develop a […]

MEAM Ph.D. Thesis Defense: “Computational Study on Rough Wall-Bounded Flows and their Effects at Low and Very-High Reynolds Numbers”

Towne 313 220 S. 33rd Street, Philadelphia, PA, United States

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 studies are simplified by using smooth surfaces.  This simplification has allowed us to gain a greater understanding of near-wall processes for many flows of interest, […]

MEAM Ph.D. Thesis Defense: “Implementation and Performance of Wall Models for Large Eddy Simulation of Non-equilibrium Turbulent Boundary Layers”

Room B13, Chemistry Building 231 S. 34th Street, Philadelphia, PA, United States

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 exhibit nonequilibrium effects such as pressure gradient, flow separation, and mean three-dimensionality. However, the direct numerical simulation (DNS) of high-Reynolds-number wall-bounded turbulent flows is not […]

PICS Colloquium: “Modeling Lone Pair Dynamics in Materials”

PICS Conference Room 534 - A Wing , 5th Floor 3401 Walnut Street, Philadelphia, PA, United States

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 pair electrons can result in non-trivial directional interactions in materials. I will discuss molecular interactions involving lone pairs in materials, focusing on results from molecular […]

BE Seminar: “Using Computers to Derive Protein Structure from Sparse Data – A Case Study for Mass Spectrometry” (Steffen Lindert, Ohio State)

Raisler Lounge (Room 225), Towne Building 220 South 33rd Street, Philadelphia, PA, United States

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 structure determination methods, this information is not sufficient to deduce all atom coordinates and can only inform on certain elements of structure, such as solvent […]

PICS Colloquium: “Representations Learnt from Synthetic Volumes Enable Training-free Medical Image Analysis”

PICS Conference Room 534 - A Wing , 5th Floor 3401 Walnut Street, Philadelphia, PA, United States

Current medical image analysis projects involve months to years of data annotation and custom technical development. This talk introduces methods to train networks that generalize out-of-the-box to new modalities, anatomies, and datasets all without retraining for the specific use case. Our key contributions include (A) generative models driven by biomedical shape priors that synthesize wildly […]

MEAM Seminar: “Collective Transitions in Beating Cilia and Swimming Fish”

Wu and Chen Auditorium (Room 101), Levine Hall 3330 Walnut Street, Philadelphia, PA, United States

I will discuss the collective modes that spontaneously emerge in ciliary carpets and fish schools. In both systems, the fluid medium couples the motion of individuals in the group. Flow coupling is dominated by viscous forces in cilia and by inertial interactions in fish. I will show, numerically and analytically in the continuum limit, that […]