aspuru-list May 2009

aspuru-list@lists.fas.harvard.edu

20 participants
49 discussions

[Aspuru-Guzik group list] Colloquium: Todd Martinez, "Quantum Chemistry and First Principles Dynamics on GPUs, " May 6, Wednesday, 4pm, 60 Oxford Street, Room 330

by Semion Saikin

Dear Theory Groups, I would like to attract your attention to the Harvard Initiative in Innovative Computing Colloquium: SPEAKER: TODD MARTINEZ Professor of Chemistry, Stanford University TITLE: "Quantum Chemistry and First Principles Dynamics on GPUs" ABSTRACT: Quantum chemistry represents the solution of the electronic Schrödinger equation for a set of nuclei and electrons. Once this equation is solved, interatomic forces can be used to follow the classical (or quantum) dynamics of the nuclei. The problem to date has been the high cost of solving the electronic Schrödinger equation, especially for large molecules. This talk will summarize the basic problems and show how first-principles dynamics can be carried out for entire proteins by redesigning the algorithms for use on stream processors, especially graphics processing units (GPUs). Such algorithms can speed processing by nearly three orders of magnitude, making it possible to carry out on a desktop computer calculations that were once possible only on a supercomputer. TIME AND LOCATION: May 6, 4 pm 60 Oxford Street, Room 330 Thank you, Semion ******************************************** Semion K. Saikin Department of Chemistry and Chemical Biology Harvard University 12 Oxford Street, Cambridge, MA 02138 email: saykin(a)fas.harvard.edu phone: (619)212-6649 ********************************************

14 years, 12 months

[Aspuru-Guzik group list] Density-functional studies of plasmons in small metal clusters

by help＠scitation.org

14 years, 12 months

[Aspuru-Guzik group list] Power plants tour

by Roberto Olivares-Amaya

Dear Group: As part of my Energy Technology class, we are touring two power plants: Brayton Point, which is a coal plant on the 6th and a Wind Power Plant on the 13th. I believe it's open to anyone with a Harvard e-mail address. Each trip will last about four hours. If you are interested to go, go to my.harvard.edu and look for the class EngSci 231. Roberto ---------- Forwarded message ---------- From: Alexander C. Johnson <acjohns(a)fas.harvard.edu> Date: Sun, May 3, 2009 at 3:56 PM Subject: [ ENG-SCI 231 ] Brayton Point Power Plant tour sign-up To: Hi Everyone, You can now sign up for our May 6 field trip to the Brayton Point Coal Power Plant on the front page of the course website. As this is coming up soon, try to sign up by Monday evening so I can get an approximate count to give them. We will leave Harvard (Oxford St, outside Maxwell Dworkin) at 11AM. Brayton Point will provide lunch while we have a presentation and discussion with the plant manager, followed by a tour. We will be home at approximately 4:30. For safety on the tour, Brayton Point has asked that everyone wear flat, closed-toed shoes, but you can leave your hard hats and safety glasses behind - they will be provided. Some background on this power plant, for those who are interested. First the official take (second has some more specs): http://www.dom.com/news/elec2005/pr0728.jsp http://www.acppubs.com/article/CA6373069.html Then some of the controversy: http://www.greenfutures.org/projects/powerplant/past/8-4-02.html http://www.clf.org/programs/cases.asp?id=338 Seems like quite a battleground, but the new owners are making a lot of good changes. I'm not sure the status of their cooling systems right now, but I'm sure we'll hear more abut it on the tour. -Alex

14 years, 12 months

[Aspuru-Guzik group list] Group meeting reminder: Tomorrow, Monday 11AM @ M102

by Alejandro Perdomo

Leslie is up tomorrow. See you all at 11am in the division room. Cheers, -A -- Alejandro Perdomo Ph.D. Candidate in Chemical Physics. Harvard University 12 Oxford St #482, Cambridge, MA, 02138. perdomo(a)fas.harvard.edu

14 years, 12 months

[Aspuru-Guzik group list] Fwd: Writing papers (and reading too)

by James D Whitfield

Hi everyone, I hope the attached documents are helpful. Best, James James D Whitfield Aspuru-Guzik Group Department of Chemistry and Chemical Biology Harvard University tel: 301-520-7847 web: aspuru.chem.harvard.edu/people/James_Whitfield ---------- Forwarded message ---------- From: Sorell Massenburg <massenburg(a)gmail.com> Date: Tue, Apr 28, 2009 at 10:39 PM Subject: Writing papers (and reading too) To: hmsg(a)googlegroups.com Folks, For anyone who wanted the handout from yesterday's seminar on academic writing. I'm also including a paper by Whitesides on writing papers. Also attached is a document about reading papers. I hope you find them as useful as I have. Sorell --~--~---------~--~----~------------~-------~--~----~ You received this message because you are subscribed to the Google Groups "HMSG" group. To post to this group, send email to hmsg(a)googlegroups.com To unsubscribe from this group, send email to hmsg+unsubscribe(a)googlegroups.com <hmsg%2Bunsubscribe(a)googlegroups.com> For more options, visit this group at http://groups.google.com/group/hmsg?hl=en -~----------~----~----~----~------~----~------~--~---

15 years

[Aspuru-Guzik group list] David Tempel

by Anna B. Shin

Dear Group, Since Alan is out of town, let me take this opportunity to announce that David Tempel will be joining the group. He has a temporary desk in Physics but will be moving into our space, once we get more space, very soon. David, welcome to the A-G group! Best, Anna -- Anna B. Shin Aspuru-Guzik Group Administrator Department of Chemistry and Chemical Biology Harvard University 12 Oxford Street Cambridge, MA 02138 617.496.9964 phone 617.496.9411 fax anna(a)chemistry.harvard.edu Aspuru-Guzik Group URL: http://aspuru.chem.harvard.edu/

15 years

[Aspuru-Guzik group list] Scissors?

by Leslie Vogt

Hi everyone, Has anyone seen the group scissors? If so, can you put them back in the supply cabinet? Thanks, Leslie -- Leslie Vogt Aspuru-Guzik Group Chemistry and Chemical Biology Harvard University

15 years

[Aspuru-Guzik group list] Have you seen this book around? - primer in density functional theory

by Sangwoo Shim

Hello all, Have you seen this book, a primer in density functional theory, around? I believe I returned this 1~2 weeks ago to the library, but hollis catalog still says it's on due today. :-( Anyway, just in case... Best, Sangwoo

15 years

[Aspuru-Guzik group list] Organic PVcells

by Alejandro Perdomo

For those of us interested in PVcells. http://www.nature.com.ezp-prod1.hul.harvard.edu/nphoton/journal/v3/n5/full/… -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

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aspuru-list May 2009