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PICS Colloquium: “Computational and Experimental Modeling of Membrane Distillation”

Abstract: Computational fluid dynamics simulations and experiments were conducted to study the performance of distillation membrane process for water treatment and desalination applications. Polarizations and fouling/scaling in a direct contact membrane distillation module were examined. Laminar and turbulent flow regimes in the feed and permeate channels were considered. The hydrophobic membrane separates feed and permeate […]

PICS Colloquium: “Molecular organization in biology: What can computer simulations teach us?”

Abstract: The formation of membraneless organelles (MLOs) via phase separation of proteins and nucleic acids has emerged as an essential process with which cells can maintain spatiotemporal control. Despite enormous progress in understanding the role of MLOs in biological function in the last ten years or so, the molecular details of the underlying phenomena are […]

PICS Colloquium: “From atoms to emergent mechanisms with information bottleneck and diffusion probabilistic models”

Abstract: The ability to rapidly learn from high-dimensional data to make reliable predictions about the future is crucial in many contexts. This could be a fly avoiding predators, or the retina processing terabytes of data guiding complex human actions. Modern day artificial intelligence (AI) aims to mimic this fidelity and has been successful in many domains […]

PICS Colloquium: “A model for external aerodynamics based on building-block flows”

Abstract: A wall model for large-eddy simulation is proposed by devising the flow as a collection of building blocks, whose information enables the prediction of the stress as the wall.  The core assumption of the model is that simple canonical flows (such as turbulent channel flows, boundary layers, pipes, ducts, speed bumps, etc) contain the […]

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

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 […]

PICS Alumni Spotlight: Robert Wexler

On Wednesday, October 20th at 12:00 PICS will host an alumni spotlight with Dr. Robert Wexler, an alumni of the Rappe Group. Dr. Wexler will talk about his education, career decision and research in this hour long, virtual talk. The Zoom details will be announced soon.

PICS Student Seminar: “Keshav Patil and Yansong Gao”

Yansong Gao Title: “A Free-Energy Principle for Representation Learning” Keshav Patil Title: “Altered protein dynamics delineates the oncogenic potential of various kinase mutations” On Wednesday, October 6 at 12:00, PICS will host a virtual student seminar featuring Yansong Gao, a 4th year PhD in the Chaudhari group; and Keshav Patil, 4th year PhD in the […]

PICS Colloquium: “How reproducible is your research?”

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 […]

CBE Graduate Student Symposium (GSS)

PICS Colloquium: “Protein dynamics and energy landscape engineering”

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 […]

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