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Location
Gore 103
Speaker
Dr. Alexei Kananenka, Institute for Molecular Engineering, University of Chicago
Host
Lyman

While theoretical methods designed to study molecules, such as density functional theory (DFT) are computationally cheap and have proven successful, their application to strongly correlated materials such as fascinating new substances that can be used for sensing, signal conversion, memory modules, and spintronics, often leads to qualitatively wrong results. In the first part of my talk, I will present a recently developed self-energy embedding theory (SEET), which is capable of describing a few strongly correlated electrons embedded in the field of delocalized electrons.

Event Types
Location
Gore 103
Speaker
Dr. Jeff Wereszczynski, Department of Physics, Illinois Institute of Technology
Host
Lyman

Biological macromolecules such as proteins, DNAs, and lipids, perform diverse functions in the cell that are the foundations of life processes. These complex mechanisms are a result of finely balanced thermodynamic forces governing both inter- and intramolecular interactions, as well as kinetic processes that occur over a vast range of time and length scales. Understanding the fundamental driving forces of biomolecular functions, and how they can be altered to tune cellular mechanisms, is therefore a central problem in modern biophysics research.

Event Types
Location
Gore 104
Speaker
Dr. Paul Robustelli, DE Shaw Research
Host
Lyman
Many proteins that perform important biological functions are completely or partially disordered under physiological conditions. These so-called “intrinsically disordered proteins” do not adopt a well-defined three-dimensional structure in isolation, but instead populate a heterogeneous ensemble of rapidly interconverting conformational states. If a sufficiently accurate physical model (“force field”) is used, atomistic molecular dynamics (MD) simulations can serve as a valuable tool for characterizing the structural and dynamic properties of intrinsically disordered proteins.
Event Types
Location
Gore 103
Speaker
Dr. Joseph Rudzinski, Max Plank Institue for Polymer Research
Host
Lyman
Coarse-grained simulation models can provide significant insight into the complex behavior of molecules in the condensed phase. In particular, “bottom-up” coarse-grained models retain chemical specificity by targeting the reproduction of properties from a higher-resolution reference model. However, these models are inherently limited by the molecular representation, set of interaction potentials, and parametrization method.
Event Types
Date
Time
4:00pm
Location
Gore 103
Speaker
Dr. Naomi Oppenheimer, Flatiron Institute at the Simons Foundation
Host
Lyman

Membrane hydrodynamics is intriguing due to an interplay of dimensionalities; momentum travels in the plane of the membrane at short distances, but moves through the outer fluid at larger ones, showing a crossover from 2D to 3D like behavior. Chemical reactions on the surface of a cell, therefore, require a special treatment. While it is possible to perform a simple Smoluchowski-like calculation in 2D to predict reaction rates in membranes, we will see that the expected rates are reduced by an order of magnitude when accounting for hydrodynamic interactions between reactants and targets.

Event Types
Date
Time
4:00pm
Location
Gore 103
Speaker
Dr. Gino Segre, University of Pennsylvania
Host
Szalewicz

Enrico Fermi was one of the 20th century’s greatest physicists and the only one to reach the professions greatest heights as both a theorist and experimentalist. This talk will describe Fermi’s life and the manner in which his contributions to almost every field of physics came about. Gino Segre` is an emeritus professor of physics and astronomy at the University of Pennsylvania. He received his A.B. from Harvard in 1959 and his Ph.D from M.I.T. in 1963.

Event Types
Date
Time
4:00PM
Location
104 Gore Hall
Speaker
Andrew M. Rappe, University of Pennsylania
Host
Nikolic

In this talk, I will emphasize the ways that physical formulation and insight guide the discovery of new materials, enhancing data-driven approaches. Specific examples will include the advancement of bulk photovoltaics and topological semimetals. The interlocking roles of symmetry, band topology, defects, electron counting, dimensionality crossover, and nanoscale patterning will be developed, and the connection of these phenomena with data searching techniques will be explained. 

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