1.021/3.021/10.333/18.361/22.00  Intro to Modeling & Simulation

Dear all:

For those of you who presented your projects yesterday, thank you! It was fun and exciting to see the application of the methods we discussed in IM/S to a wide array of problems.

Please remember to complete the teaching evaluation form! It is extremely important to us that you complete the online teaching evaluations at: http://web.mit.edu/subjectevaluation

Please make every effort to complete the form, we appreciate it.

Also, please recall that in tomorrow’s last class there will be a surprise. We hope all of you will be able to attend this Thursday!

Best regards,
Markus Buehler

Dear all:

Here are a few important announcements:

1. Please complete the teaching evaluations at: http://web.mit.edu/subjectevaluation

Your feedback is extremely important, and please make every effort to complete the form. 

2. We will meet for the final project presentations on Tuesday, May 10 between 11 am and 1:30 pm in 1-235A&B (projects with Prof. Grossman will be presented from 1 pm onwards). If this time does not work for you please contact me so we can schedule an alternative time.

3. There will be a "surprise" in this Thursday's class (May 12) to celebrate the end of the term, and to reflect on what we have learned in IM/S. We hope all of you will be able to attend this Thursday!

Best regards,
Markus Buehler

Dear all:

This seminar could be of interest to you! Professor Kaxiras is a well known scientist in the area of computational materials sciencec.

Best regards,
Markus Buehler

The MIT Seminars in Computational Engineering series presents:

Efthimios Kaxiras, John Hasbrouck Van Vleck Professor of Pure and Applied Physics, Department of Physics and School of Engineering and Applied Sciences Harvard University

Topic:   “Nano-scale hybrid systems for efficient solar energy conversion”
 
Date:   Today- WEDNESDAY, May 4, 2011
Time:   4:00-5:00 pm
Place:   Room 3-370
 
Abstract: The design and optimization of low-cost photovoltaic (PV) materials is a key component toward achieving energy sufficiency and reducing green-house gas emissions. Dye-sensitized solar cells (DSC’s) are often cited as one of the promising third-generation cells that could contribute significantly to the solution of this problem. Better design of these systems by carefully selecting the appropriate organic molecules, semiconductor substrates and surfaces, through the use of theoretical models with predictive power, are required to speed up the development of successful DSC devices. To this end, we have developed a new theoretical tool in the context of time-dependent density-functional-theory (TD-DFT) that allows us to propagate the coupled ion and electron dynamics in real time.  This approach provides a realistic description of charge injection mechanisms between the organic molecule and the semiconducting substrate.  This unique capability opens new possibilities for comprehensive studies of the factors that affect the stability and efficiency of such organic-inorganic composite systems.

Presented by the MIT Center for Computational Engineering   http://computationalengineering.mit.edu/

Host: Markus Buehler ( mbuehler@MIT.EDU ).

Dear all:

I will hold office hours on Tuesday 2-3 pm in 1-235A&B. I hope to see many of you there.

Regards,
Markus Buehler

Dear all:

I'll have office hours today (Thursday) 11 am-noon in 1-235A&B. If you can not make it please let me know and we can schedule to meet at another time.

Best regards,
Markus Buehler