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PICS Colloquium: “Workflows, Datasets and Models for Active Discovery in Catalysis”

Abstract: Machine learning accelerated catalyst discovery efforts has seen much progress in the last few years. Datasets of computational calculations have improved, models to connect surface structure with electronic structure or adsorption energies have gotten more sophisticated, and active learning exploration strategies are becoming routine in discovery efforts. However, there are several large challenges that […]

ESE Seminar: “Integrated Nonlinear and Quantum Photonic Devices”

Zoom - Email ESE for Link jbatter@seas.upenn.edu

Recent advances in nanofabrication technology have allowed for the realization of ultra-low loss nanophotonic waveguides and is opening up exciting opportunities for next-generation nonlinear photonic circuits with higher integration density, advanced functionalities, and ultralow energy consumption. Those features are critical for advancing photonic technologies in both classical and quantum domains. In this talk, I will […]

ESE Seminar: “Engineering (Useful) Quantum Systems”

Zoom - Email ESE for Link jbatter@seas.upenn.edu

Quantum technologies have the potential to revolutionize sensing, communication, and computation. To realize this potential, it will be necessary to scale the size and complexity of engineered quantum systems by several orders of magnitude, without sacrificing coherence or fidelity. Trapped ion qubits provide unparalleled coherence and are a leading platform for current small-scale quantum technology […]

PICS Colloquium: “Molecular Engineering of Ice Responsive Materials: Decoding Heterogeneous Ice Nucleation”

Zoom - email kathom@seas.upenn.edu

Abstract: The presence of particles such as dust and pollen affect cloud microphysics significantly through their effect on the state of water. These particles can hinder or accelerate the liquid-to-solid transition of water, and also affect the ice polymorph formed in the clouds. This indirectly cloud reflectivity, cloud lifetime, and precipitation rates. While a predominant […]

ESE Seminar: “Harnessing Light-Matter Interaction for Photonic Quantum Technologies”

Zoom - Email ESE for Link jbatter@seas.upenn.edu

Photonic quantum technologies have a unique potential for applications such as large-scale quantum networks and quantum-enhanced sensing. Furthermore, photons provide new paradigms for quantum simulations and a testbed for benchmarking the advantage of quantum simulators over the classical ones. These applications demand novel resources such as efficient single-photon sources, large clusters of entangled photons, and […]

PICS Colloquium: “Modeling and simulations of protein conformational changes and virus entry”

Zoom - email kathom@seas.upenn.edu

Abstract: Virus infections remain major threats to human health worldwide. Viruses are intracellular parasites, and must enter host cells and deliver their genetic material to initiate infection. Virus entry is a highly complex process that may involve hundreds of trans-membrane and peripheral membrane proteins. This highly complex process is dictated by various events, such as […]

PICS Colloquium: “Network-Based Characterization, Modeling, and Control of Fluid Flows”

Zoom - email kathom@seas.upenn.edu

The network of interactions in a sea of vortices gives rise to the amazingly rich dynamics of fluid flows. To describe these interactions, we consider the use of mathematical tools from the emerging field of network science that is comprised of graph theory, dynamical systems, data science, and control theory. In this presentation, we discuss […]

PICS Colloquium: “Protein dynamics and energy landscape engineering”

Zoom - email kathom@seas.upenn.edu

Abstract: Experiments only reveal a few of a protein’s structures with the atomic detail required to rationally engineer mutations and drugs. However, a protein actually has a vast landscape of uncharted conformations that present untapped opportunities for manipulating its function. My lab is developing simulation methods, called Markov state models (MSMs), that provide unprecedented access […]

PICS Colloquium: “How reproducible is your research?”

Zoom - email kathom@seas.upenn.edu

Abstract: Each year vast international resources are wasted on irreproducible research. The scientific community has been slow to adopt standard software engineering practices, despite the increases in high-dimensional data, complexities of workflows, and computational environments. Here we show how scientific software applications can be created in a reproducible manner when simple design goals for reproducibility are […]

PICS Colloquium: “Kinetic theory for superparameterization of sea ice dynamics”

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

Arctic sea ice comprises of many ice floes whose dynamics is driven by oceanic/atmospheric currents and floe-floe interaction. Models of the effective sea ice dynamics  at large scales typically employ hydrodynamic equations of motion, such as mass and momentum conservation, with complex constitutive laws attempting to capture the rheology of sea ice as a continuum. Although hydrodynamic sea ice models […]