aspuru-list April 2009

aspuru-list@lists.fas.harvard.edu

23 participants
81 discussions

[Aspuru-Guzik group list] C++QED: a framework for simulating open quantum dynamics

by Patrick Rebentrost

Dear All, this just came out on the arXiv, an open systems toolkit for C++. C++QED: a framework for simulating open quantum dynamics Authors: Andras Vukics http://arxiv.org/abs/0904.4172 From what I see, this toolbox includes standard methods and some interesting classes like "LossyMode" etc. "As of today, the following possibilities for time evolution are provided in the framework: • Full Master equation • Single Monte Carlo wave-function (MCWF) trajectory. We use a modification of the original method with higher order adaptive stepsize time evolution. • Ensemble of quantum (at present, MCWF) trajectories. These are evolved serially at the moment, parallelization should be implemented here." Best, Patrick

15 years, 1 month

[Aspuru-Guzik group list] Dinner/drinking tonight.

by Alan Aspuru-Guzik

Dear group and Stopa-san I would love to invite you to celebrate the EFRC success and the Dreyfus foundation grant. I propose to meet at the O'sullivan's, which is walking distance from here towards Somerville. The drinks are on me. The place is here http://www.hiddenboston.com/Osullivan.html If anybody is intersted, we can leave at around 7.15 and anybody can catch up and meet us there if you want? Cheers to all, Alan Alán Aspuru-Guzik | Assistant Professor Harvard University | Department of Chemistry and Chemical Biology 12 Oxford Street, Room M113 | Cambridge, MA 02138 (617)-384-8188 | http://aspuru.chem.harvard.edu

15 years, 1 month

[Aspuru-Guzik group list] copy cards...

by Anna B. Shin

...are filled and back in the office supply cabinet in M110. please use sparingly.

15 years, 2 months

[Aspuru-Guzik group list] hot coffee...

by Anna B. Shin

...in the kitchen.

15 years, 2 months

[Aspuru-Guzik group list] Group meeting: Today, 11am-Notice the change of room

by Alejandro Perdomo

We will meet at 11am in Mallinckrodt 318. Patrick is up and he will talk about quantum optimal control. -A -- Alejandro Perdomo Ph.D. Candidate in Chemical Physics. Harvard University 12 Oxford St #482, Cambridge, MA, 02138. perdomo(a)fas.harvard.edu

15 years, 2 months

[Aspuru-Guzik group list] Monday April 13

by Edward Farhi

Dear Quanta We will meet on April 13 at 3:00 in 6-310. Debbie Leung will join us. She is also speaking at 4:15. Best, Eddie ::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: Edward Farhi Cecil and Ida Green Professor of Physics Director Center for Theoretical Physics Massachusetts Institute of Technology Building 6 Room 300 Cambridge MA 02139 617 253 4871 :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

15 years, 2 months

[Aspuru-Guzik group list] Mission: Impossible (4/26 4pm)

by Leslie Vogt

Date: Sunday, April 26 Time: 4pm Location: Aspuru/Cohen lounge space Dear Scientist, Your mission, should you decide to accept it, is to vie for the honor of winning a board game. You or your team will select your game from the following: *Settlers of Catan*, *Carcasonne*, poker, or other games provided by you or your adversaries. To win these games, you will have to compete against skilled opponents and overcome tactical obstacles. Once you have completed your mission, you should resume normal lab activities until further notice. Good luck. This message will self-destruct in five seconds....

15 years, 2 months

[Aspuru-Guzik group list] Group meeting Monday 11-12noon @ M318

by Alejandro Perdomo

Patrick is up this time. -A -- Alejandro Perdomo Ph.D. Candidate in Chemical Physics. Harvard University 12 Oxford St #482, Cambridge, MA, 02138. perdomo(a)fas.harvard.edu

15 years, 2 months

[Aspuru-Guzik group list] Excitonics Seminar - Prof. Jenny Nelson - April 29

by rtavilla＠rle.mit.edu

Center for Excitonics Seminar Series Announcement The Center for Excitonics (http://www.rle.mit.edu/excitonics) invites you to join us at the next seminar of the 2009 series. Please forward this information on to others who might be interested in attending this and other seminars. Title: Factors influencing photocurrent generation in organic bulk heterojunction solar cells: interfacial energetics and blend microstructure Presenter: Prof. Jenny Nelson Organization: Department of Physics Imperial College London Date: April 29, 2009 Time: 3:00 - 4:00pm Place: 36-428 Refreshments: Yes URL: http://www.rle.mit.edu/excitonics/jnelson-042909.html Abstract The efficiency of photocurrent generation in conjugated polymer:small molecule blend solar is strongly influenced both by the energy level alignment at the donor-acceptor interface and by the microstructure of the blend films. Photoinduced charge separation requires that the charge separated state competes successfully with other excited states in the system and that the thermodynamic driving force for charge separation exceeds some threshold, which may depend upon both the specific chemical structure and the local microstructure. The optimum blend microstructure, in turn, appears to combine a high degree of order in local molecular packing (benefitting charge transport and charge separation), a large interface (for charge separation) and significant phase segregation (to minimise charge recombination). In this work, we will show how a combination of spectroscopic techniques, electrical measurements and studies of phase behaviour can be used to build up a picture of the microstructure in a polymer: fullerene blend film, and so to rationalise the conditions for photocurrent generation. Finally, we demonstrate that the optimum blend composition for photocurrent generation can be related in a rational way to the phase behaviour of the binary system and in particular to the self-organising tendency of the component materials. Bio Jenny Nelson is a Professor of Physics at Imperial College London, where she has researched novel types of solar cell since 1989. Her current research focuses on photovoltaic energy conversion using molecular materials, characterization of the charge transport, charge separation and morphology properties of molecular semiconductors, and the modelling of charge transport in organic semiconductors. She has published over 100 papers on photovoltaic materials and devices and a book on the physics of solar cells.

15 years, 2 months

[Aspuru-Guzik group list] Ed Valeev visit

by Leslie Vogt

Hi everyone, Ed Valeev will be around tomorrow morning to hang out and chat with people in our group. Please consider coming in tomorrow morning to talk with him about your cool research! Leslie -- Leslie Vogt Aspuru-Guzik Group Chemistry and Chemical Biology Harvard University

15 years, 2 months

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aspuru-list April 2009