aspuru-list June 2013

aspuru-list@lists.fas.harvard.edu

38 participants
61 discussions

Re: [Aspuru-Guzik group list] CEP website Apache test server

by Martin Blood-Forsythe

Dear colleagues, If you encountered an Apache Test Server page when testing the CEP website this is because the site is currently only accessible to those with a Harvard IP address that starts with a 10. If you get a chance to connect to the research computing VPN and try it again, I would greatly appreciate additional feedback. Best wishes, -Martin

10 years, 10 months

[Aspuru-Guzik group list] [qip] Friday June 21

by Edward Farhi

Hello Quanta I am going to Israel tomorrow night and I am way behind in everything I need to do including writing my talk so I will not come to MIT on Friday. Please go ahead and meet without me at 11:00 if you like. Best, Eddie ::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: Edward Farhi Cecil and Ida Green Professor of Physics Director Center for Theoretical Physics 6-300 Massachusetts Institute of Technology Cambridge MA 02139 617 253 4871 ::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

10 years, 10 months

[Aspuru-Guzik group list] Help us test the CEP website

by Martin Blood-Forsythe

Dear colleagues, Please take a few minutes to visit http://cleanenergy.molecularspace.org/ and take a screen shot of the front page and send it back to me. We are interested to know how the site looks with the different resolutions that you all use on your computers regularly. Please also take a few minutes to explore the various links and let us know if there are any pages that have display issues. We know that there are some content issues still! Best wishes, -Martin

10 years, 10 months

[Aspuru-Guzik group list] ... and the winning logo is ....

by Stéphanie Valleau

*number 1 !!!!!!!!!!* [image: Inline image 1] Thanks to all of you for voting, if you are curious about the vote distribution, here it is: 1 - 10 2 - 9 3 - 3 4 - 1 5 - 2 6 - 3 Stephanie

10 years, 10 months

[Aspuru-Guzik group list] lab fair outside today

by Joey Goodknight

Hey Everyone, There's a fair being run by Harvard's main equipment supplier today in the courtyard between fairchild and Naito. It runs from 10-3 and there's some pen/paper/chemistry schwag which is pretty cool. I personally walked away with a post-it-note book, a sharpie, a nice pen and a nice periodic table card. If you were more wililng to talk to people, there are booths with t-shirts. The poster said there would be pizza but Semion and I just scoped it out and there's no pizza yet, but perhaps around noon time there will be some. -Joey

10 years, 10 months

[Aspuru-Guzik group list] Fwd: ChemAxon Tech Talk in Cambridge, MA on 26th June

by Alan Aspuru-Guzik

Alán Aspuru-Guzik | Professor of Chemistry and Chemical Biology Harvard University | 12 Oxford Street, Room M113 | Cambridge, MA 02138 (617)-384-8188 | http://aspuru.chem.harvard.edu | http://about.me/aspuru ---------- Forwarded message ---------- From: ChemAxon <jfejervari(a)chemaxon.com> Date: Tue, Jun 18, 2013 at 10:00 AM Subject: ChemAxon Tech Talk in Cambridge, MA on 26th June To: Alan <alan(a)aspuru.com> ** Register here<http://chemaxon.us4.list-manage.com/track/click?u=367e81e89570b31a401d1b039…>for our training in Cambridge! View this email in your browser<http://us4.campaign-archive1.com/?u=367e81e89570b31a401d1b039&id=9fc1566845…> ChemAxon Tech Talk in Cambridge, MA - 26th June *6.0 version highlights & user talks from Broad, Constellation, Vertex & Infinity* REGISTER<http://chemaxon.us4.list-manage.com/track/click?u=367e81e89570b31a401d1b039…> ChemAxon announces its tech talk and networking event in *Cambridge Marriott *, 2 Cambridge Center (find on Google maps<http://chemaxon.us4.list-manage.com/track/click?u=367e81e89570b31a401d1b039…>), which will take place on the *26th of June from 10 am till 5 pm*. Our tech talks give you an opportunity to meet with ChemAxon staff and users in an informal environment. We will have presentations on the *latest 6.0 developments* in the ChemAxon product range, with *practical examples* how these fit into your workflow. As our application scientists and support team will also be on hand, one on one sessions to *discuss any technical issues* is also possible. The final agenda includes *user presentations* as well as ChemAxon talks about our latest developments. Please read through the detailed agenda of our tech talk below. Agenda of the Tech Talk *10 am - *Greeting and Opening – *by Doug Drake (ChemAxon)* *10.20 am - *Instant JChem and Plexus - an emerging story – *by Aurora Costache (ChemAxon)* *11 am* - BARD: BioAssay Research Database – *by Phil Montgomery (Broad Institute)* *11.30 am* - ChemAxon mini-reg – *by Dennis Sprous (ChemAxon)* *12.15 pm - LUNCH* *1 pm* - JChem Base Web Services - the new story - *by Jon Lee (ChemAxon)* *1.30 pm* - Building a platform for Cheminformatics - *by Julian Fowler (Constellation Pharmaceuticals)* *2 pm* - JChem Base Naming and Document Indexing – *by Jon Lee (ChemAxon)* *2.30 pm - Coffee Break* *2. 45 pm* - Integrating Third-Party Chemoinformatic Platforms at Vertex Pharmaceuticals – *by Jonathan Weiss & Carlos Faerman (Vertex Pharmaceuticals)* *3.15 pm* - New 6.0 release bits - *by Aurora Costache (ChemAxon)* *4.15 pm* - Infinity Pharmaceuticals Migration from Daylight to JChem - *by Jeff Reed (Infinity Pharmaceuticals)* *4. 45 pm* - Closing Remarks – *by Doug Drake (ChemAxon)* *5 pm - Reception* Register here<http://chemaxon.us4.list-manage.com/track/click?u=367e81e89570b31a401d1b039…> [image: Facebook]<http://chemaxon.us4.list-manage.com/track/click?u=367e81e89570b31a401d1b039…> Facebook<http://chemaxon.us4.list-manage.com/track/click?u=367e81e89570b31a401d1b039…> [image: Twitter]<http://chemaxon.us4.list-manage.com/track/click?u=367e81e89570b31a401d1b039…> Twitter<http://chemaxon.us4.list-manage1.com/track/click?u=367e81e89570b31a401d1b03…> [image: LinkedIn]<http://chemaxon.us4.list-manage1.com/track/click?u=367e81e89570b31a401d1b03…> LinkedIn<http://chemaxon.us4.list-manage2.com/track/click?u=367e81e89570b31a401d1b03…> [image: Pinterest]<http://chemaxon.us4.list-manage.com/track/click?u=367e81e89570b31a401d1b039…> Pinterest<http://chemaxon.us4.list-manage1.com/track/click?u=367e81e89570b31a401d1b03…> [image: Google Plus]<http://chemaxon.us4.list-manage.com/track/click?u=367e81e89570b31a401d1b039…> Google Plus<http://chemaxon.us4.list-manage.com/track/click?u=367e81e89570b31a401d1b039…> *Copyright © 2013 ChemAxon Ltd, All rights reserved.* You are receiving this mail because you registered on our website. *Our mailing address is:* ChemAxon Ltd Záhony utca 7. Budapest, --- 1031 Hungary Add us to your address book<http://chemaxon.us4.list-manage1.com/vcard?u=367e81e89570b31a401d1b039&id=4…> unsubscribe from this list<http://chemaxon.us4.list-manage.com/unsubscribe?u=367e81e89570b31a401d1b039…> update subscription preferences<http://chemaxon.us4.list-manage1.com/profile?u=367e81e89570b31a401d1b039&id…>

10 years, 10 months

[Aspuru-Guzik group list] [Aspuru-meetings-list] group meeting: Humberto Laguna

by Ryan Babbush

Hi Everyone, Dr. Humberto Laguna will be giving group meeting this week at 2:00pm on Thursday in the Division Room (our new time for the summer). His talk details are included below. Title: Statistical correlations, localization and interactions in model quantum systems Abstract: Correlation is a key factor in understanding a variety of chemical and physical phenomena. There are three clear sources of statistical correlations in quantum systems: (1) that which arises from the indistinguishability restriction on the wave function; (2) that which originates from the interaction between particles through a potential; (3) and that which is due to the uncertainty principle as a result of the noncommutativity of operators. These statistical correlations manifest themselves through the nonseparability of the distribution functions describing the systems. In the first two cases (indistinguishability and interaction), the problem can be addressed, in position space (correlation between $x_{1}$ and $x_{2}$) or in momentum space (correlation between $p_{1}$ and $p_{2}$), by analyzing the nonseparability of the pair density distributions of the system. The differences between the relative strength of correlation in the two different spaces are discussed and related to the symmetry of the wave function and the strength of the interparticle potential. In the case of position-momentum correlation (which also occurs in one-particle systems), the problem must be formulated in terms of the Wigner function, a quantum phase-space representation of the system. Proposals to distinguish between the different kinds of statistical correlations are of fundamental importance to determine their effects on the behavior of a system. Additionally, there is the question of how one kind of correlation is related to another, e.g. how the position-momentum correlation is affected by the presence of an interparticle potential. Analyses of statistical correlation are made with the measures provided by Information Theory, i.e. mutual information, which is defined in terms of the Shannon entropies of the corresponding one- and two-particle densities. Also are discussed the delocalization phenomena in the distributions from analysis of their Shannon entropies. The problem is addressed in one-particle and two-particle models. -- Ryan Babbush | PhD Student in Physics (949) 331-3943 | babbush(a)fas.harvard.edu Harvard University | Aspuru-Guzik Group 12 Oxford Street | Cambridge, MA 02138 _______________________________________________ Aspuru-meetings-list mailing list Aspuru-meetings-list(a)lists.fas.harvard.edu https://lists.fas.harvard.edu/mailman/listinfo/aspuru-meetings-list

10 years, 10 months

[Aspuru-Guzik group list] vote for logo!

by Stéphanie Valleau

Dear all, Please vote for your favorite logo for the molecular space website (the group's umbrella website) by tonight! Logos are shown on this page: https://aspuru.wikidot.com/logo-molecular-space Submit your vote by responding to Alan and me! Thanks Stephanie

10 years, 10 months

[Aspuru-Guzik group list] theochem meeting tonight

by Stéphanie Valleau

Hi again, For those going to the theochem meeting, we can meet in the lobby at 6.50pm and walk over to John Harvards. Stephanie

10 years, 10 months

[Aspuru-Guzik group list] Special tequila seminar for the AAG group next week (TEQUILA WILL BE SERVED)

by Adrian Jinich

Hi group, Next tuesday from 3 - 4pm in the Division room, we'll be having a special seminar from Dr. Erick de la Barrera. See title and abstract below. THERE WILL BE TEQUILA! Title: "Will Tequila Fail with climate change?" Abstract: The declaration of the "designation of origin" triggered the successful expansion of thetequila industry and its model is being replicated for other traditional alcoholic beverages and foods in Mexico. However, what once was an economic measure to protect artisanal livelihoods has become an extremely profitable business, currently driven by multinational corporations. A climatological analysis of the tequila region suggests that neither ecological or agronomic criteria were considered for establishing the designated territory. Moreover, climate change models estimate scenarios where the productivity of *Agave tequilana*, the plant from which tequila is distilled, may decrease 15 to 36% by mid-century and up to 60% by 2090. While the tequila industry has the lobbying resources to change the region protected by the designation of origin and to plan the establishment of plantations anticipating climatological changes at suitable sites, climate change may pose a severe threat for region-specific artisanal agro-industries. -- Dr. Erick de la Barrera ----- "Antonio Madero" Visiting Scholar David Rockefeller Center for Latin American Studies and Department of Organismic and Evolutionary Biology Harvard University http://scholar.harvard.edu/delabarrera Investigador Titular Centro de Investigaciones en Ecosistemas Universidad Nacional Autónoma de México http://leaf.ecolibrios.com/

10 years, 10 months

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aspuru-list June 2013