Chemical Physics and Physical Chemistry

Physical Chemsitry Seminar Dr. Frances Hellman (Univerisity of California- Berkeley)

Thu, 2017-10-19 13:00 - 14:00
Speaker: 
Host: Fakhraai
Location: 
Lynch Lecture Hall , Chemistry Complex

Title :Ideality and Tunneling Level Systems (TLS) in Amorphous Silicon Films

 

Physical Chemistry Seminar Dr. Aleksandra Vojvodic ( University of Pennsylvania)

Thu, 2017-09-28 13:00 - 14:00
Speaker: 
Host: Fakhraai
Location: 
Lynch Lecture Hall Chemistry Complex

Title: Computationally predicting transition-metal compound materials for catalysis

 

Special Physical Chemistry Seminar: Victor Muñoz, University of California-Merced

Mon, 2017-05-08 16:00 - 17:00
Speaker: 

Prof. Victor Muñoz

University of California, Merced

Location: 
Lynch Lecture Hall

Using Physical Chemistry to Solve Important Problems in Molecular Biology and Nanotechnology

 

Special Physical Chemistry Seminar: Todd Kraus, University of Rochester

Tue, 2017-05-02 16:00 - 17:00
Speaker: 

Prof. Todd Kraus

University of Rochester

Location: 
Lynch Lecture Hall

Colloidal Semiconductor Nanocrystal Photocatalysts: Teaching an Old Dot New Tricks 

 

Special Physical Chemistry Seminar: Marcos Dantus, Michigan State University

Tue, 2017-04-25 16:00 - 17:00
Speaker: 

Prof. Marcos Dantus

Michigan State University

Location: 
Lynch Lecture Hall

A deep-learning approach to molecular dynamics

 

Physical Chemistry Seminar (Adam Smith, University of Akron)

Thu, 2017-03-30 13:00 - 14:00
Speaker: 

Biography Adam W. Smith was born in Texas and grew up in Utah. He was an undergraduate at the University of Utah in Salt Lake City, where he did in research on the gas phase electronic spectroscopy of diatomic metal carbides with Michael Morse. He then entered the chemistry PhD program at MIT and joined the lab of Andrei Tokmakoff. His thesis research was to investigate the structure and dynamics of proteins and peptides with femtosecond 2D IR spectroscopy. After graduating in 2008, Adam moved to UC Berkeley to do postdoctoral work with Jay T Groves. There he focused on problems in membrane biophysics and cell signaling using a wide range of advanced fluorescence microscopy methods including two-photon imaging, patterned photoactivation, single molecule imaging, photoactivated localization microscopy (PALM), and pulsed interleaved excitation fluorescence cross-correlation spectroscopy (PIE-FCCS). After his postdoc, Adam was a visiting scientist at the National University of Singapore and then briefly employed at Lawrence Berkeley National Laboratory. In 2012 he started his own lab at the University of Akron, where he is currently an Assistant Professor of Chemistry.

 

 The plasma membrane is the boundary between a cell and its surroundings. At the membrane, cells present an array of protein receptors that process environmental cues. The spatial and temporal arrangement of these receptors is critical to function, but the chemical forces driving this organization are not well understood. Membrane protein dimerization, for example, is a key regulator of many receptor pathways, but its role in others is still controversial or completely unknown. Assembly of receptor complexes upon ligand stimulation is central to many signaling pathways, but the kinetics and thermodynamics of the assembly process are still poorly understood. Lipids in the membrane have been hypothesized to play many structural and regulatory roles in receptor activation, but the details of the lipid-protein interface are still largely unexplored because of experimental difficulties. I will describe two ongoing projects in my group. In the first project we investigate membrane protein interactions in live cells using PIE-FCCS and related methods. These efforts have led to several key insights into the organization and activation mechanism of receptors like plexins, growth factor receptors, and visual photoreceptors. The second project is to resolve the details of lipid-protein coupling in model membranes to build a more complete picture of the chemical landscape that governs cell communication.

Location: 

Lynch Lecture Hall Chemistry Complex

 

inquires please contact Rosa M. Vargas rvargas@sas.upenn.edu

Physical Chemistry Seminar (Katherine A. (Kallie) Willets, Temple University)

Thu, 2017-01-26 13:00 - 14:00
Location: 

Lynch Lecture Hall Chemistry Complex

Inquires please contact Camille Pride at campride@sas.upenn.edu

PHYSICAL CHEMISTRY SEMINAR (Haw Yang, Princeton University)

Thu, 2017-05-04 13:00 - 14:00
Location: 

Lynch Lecture Hall Chemistry Complex

Attached Document: 

 

Real-Time 3D Single-Particle Tracking Spectroscopy and Its Applications


Physical Chemistry Seminar (David Glowacki, University of Bristol)

Thu, 2017-04-27 13:00 - 14:00
Speaker: 

Prior to widely available commodity computational machinery, room-sized “Kendrew” models1 were popular within protein modelling and visualization in the 1950s/60s, allowing researchers to understand the first protein crystal structures. Models like these have played an important role in chemical research, allowing us to visualize the design intricacies of complicated nano-architectures across both biology and materials science. Driven by the consumer market, state-of-the-art virtual reality (VR) hardware now allows us to carry out broad new classes of video-gaming tasks which were previously impossible: wielding light-sabres, making 3d sculptures, and even simulating surgery. Applying these technologies to the molecular sciences allows us to re-engage with the sorts of large, immersive, tangible models that were once popular in molecular research.2, 3 Along with state-of-the-art advances in high performance computing (HPC), we can even go one step further: whereas the older models were time stationary objects that could only capture a single conformation of a molecule (e.g., a protein or DNA crystal structure), it is now possible to construct room-sized tangible and interactive models of molecu-lar structures which are “animated” in real-time by rigorous dynamics, building on the significant progress made in computational molecular physics over the last 60 years. In this presentation, I will discuss (and hopefully demo) the work we have carried out to design a new environment which fuses commodity VR and GPU-accelerated HPC to allow (up to 8) researchers to natively inhabit a fully interactive 3d virtual molecular simulation environ-ment. Using wireless ‘atomic tweezers’, it is possible to fluidly chaperone a real-time research-grade biomolecular MD simulation in a fully co-located 3d space with surgical precision. This platform opens up a new domain of “interactive simulation”,4 allowing researchers to tackle a range of biomolecular design problems as they express their chemical design intuition to explore dynamical pathways and conformational states in hyperdimensional biomolecular systems. I will discuss some initial applications of our multi-person VR-HPC environment, including our at-tempts to understand the fundamental kinetic mechanisms and dynamical pathways whereby: (1) proteins form knotted structures, and (2) small molecular ligands (e.g., a drug or substrate) dock with a larger molecular receptor (a protein or enzyme).5

 

 

DEMO to follow

 

 

[1] Kendrew et al., Nature 181, 662 (1958);

[2] Glowacki et al., Multi Person Molecular Virtual Reality: https://vimeo.com/200789130;

[3] O'Connor et al., in Supercomputing 2016 (2016);

[4] Glowacki et al., Faraday Discuss. 169, 63 (2014);

[5] Glowacki, O'Connor, Deeks, Interactive drug docking using real-time MD within the Nano Simbox: https://vimeo.com/202556275;

Location: 

Lynch Lecture Hall Chemistry Complex

Inquires please contact Rosa Vargas rvargas@sas.upenn.edu

Physical Chemistry Seminar (Oren Tal, Weizmann Institute)

Thu, 2017-03-02 13:00 - 14:00
Location: 

Lynch Lecture Hall Chemistry Complex

Inquires please contact Camille Pride at campride@sas.upenn.edu

Department of Chemistry

231 S. 34 Street, Philadelphia, PA 19104-6323

215.898.8317 voice | 215.573.2112 fax | web@chem.upenn.edu

Syndicate content