aspuru-list July 2015

aspuru-list@lists.fas.harvard.edu

18 participants
28 discussions

[Aspuru-Guzik group list] Lasing with living cells :)

by Semion Saikin

*DOI: *10.1021/acs.nanolett.5b02491 <http://sfx.hul.harvard.edu/hvd?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt…> -- ******************************************** Semion K. Saikin, PhD Department of Chemistry and Chemical Biology Harvard University 12 Oxford Street, Cambridge, MA 02138 email: saykin(a)fas.harvard.edu phone: (619)212-6649 ********************************************

8 years, 9 months

[Aspuru-Guzik group list] [qip] Friday the 24th

by Edward Farhi

Hi Quanta We will meet this Friday the 24th at 11:00 to catch up. Shelby Kimmel is visiting and will tell us about what she has been thinking about. See you then. 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 *********************************************** _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

8 years, 9 months

[Aspuru-Guzik group list] Fwd: Changes to the network will affect printing

by Martin Blood-Forsythe

Dear colleagues, I just got this message from the physics department IT head. Apparently FAS IT has changed the way that network printers are handled, so you may now need to be connected to the VPN in order to print to scotch or agave. Cheers, -Martin ---------- Forwarded message ---------- From: Maggie McFee <mmcfee(a)physics.harvard.edu> Date: Tue, Jul 21, 2015 at 4:02 PM Subject: Changes to the network will affect printing Hi, Grads. Just a quick note to let you all know that HUIT has just made a drastic and unannounced change to the campus network. They recently swept the entire Harvard network and changed the networking on all printers they found so that they can only be connected to from the wired network or, if you're on WiFi or off campus, via VPN. I only just learned of this. This affects _all_ network printers on the network which you print directly to, such as the G1 and G2 printers and the Physics copiers. So if you need to print while on wireless, make sure to have VPN set up and ready on your computer (which will, virtually, connect you on the campus wired network). HUIT's VPN how-to/details can be found here: http://huit.harvard.edu/faq/how-connect-huit-vpn-0 and here http://huit.harvard.edu/services/vpn-virtual-private-network Thanks, Maggie McFee

8 years, 9 months

[Aspuru-Guzik group list] Fwd: [MGI] Materials Data Challenge

by Alan Aspuru-Guzik

---------- Forwarded message ---------- From: *Jim Warren* <james.warren(a)nist.gov> Date: Tuesday, July 21, 2015 Subject: [MGI] Materials Data Challenge To: MGI(a)listserv.gsa.gov MGI Colleagues, We are pleased to announce the Materials Science and Engineering Data Challenge, as well as the MGI web portal www.mgi.gov, and a number of commitments supporting the MGI. For more information, see the recent White House Blog post http://wh.gov/iXtEF Best, Jim Warren Executive Secretary, NSTC Subcommittee on the Materials Genome Initiative ######################################################################## To unsubscribe from the MGI list, click the following link: http://listserv.gsa.gov/cgi-bin/wa.exe?SUBED1=MGI&A=1 -- 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

8 years, 9 months

[Aspuru-Guzik group list] Group Meeting, July 23, 2:30 PM, Div Room

by Ian Kivlichan

Hi all, Tomorrow Adrian will give group meeting. See below for the title and abstract. Best, Ian ------------------------------------- Speaker: Adrian Jinich Title: Towards mapping the accuracy limits of *ab initio* metabolic thermodynamics: Exploring model chemistry space with Bayesian Optimization Abstract: Numerous problems in quantum chemistry - including our *ab initio* thermochemistry of metabolism - involve finding a model chemistry to accurately and cost-effectively predict molecular physicochemical values. I will present what we have learned from using Bayesian Optimization to explore the effect on accuracy of different model chemistry parameters (such as DFT functionals, basis sets, implicit water models, solute charge, explicit water solvation methods, and single point energy evaluations, among others).

8 years, 9 months

[Aspuru-Guzik group list] TWO Semions!?

by Joey Goodknight

Microsoft has TWO Semions now: we're done for! http://arxiv.org/abs/1507.05676

8 years, 9 months

[Aspuru-Guzik group list] Fwd: [developers] Registration for Boston workshop is now open

by Alan Aspuru-Guzik

If you are registering or planning to, let me know. It is free, but they asked me for a head-count. Please contact Amanda and Marlon so that they can keep a count. A. 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: Q-Chem Developer Support <devsupport(a)q-chem.com> Date: Tue, Jul 21, 2015 at 11:53 AM Subject: [developers] Registration for Boston workshop is now open To: Dear Q-Chem Developers, As Boston meeting is approaching, we would like to get an approximate number of participants. Please register online now ( http://www.q-chem.com/wsBoston15_hh.html) if you are attending. The registration is free and is only needed for technical purposes. The program of the meeting as well as information on the exact location are now available at https://jubilee.q-chem.com/trac/wiki/DevMeetingBoston2015 If you have any questions please let us know by email at devsupport(a)q-chem.com. Best regards, Ksenia Bravaya (Boston University) Evgeny Epifanovsky (Q-Chem)

8 years, 9 months

[Aspuru-Guzik group list] [qip] Seminar - Antonios Varvitsiotis (this Wednesday; CHANGE OF DATE)

by Cyril Stark

Dear All, We had to move Anotonios Varvitsiotis’ talk from tomorrow to Wednesday. Please find the details attached below. Hope to see you there, cyril — Speaker: Antonios Varvitsiotis (NUS Singapore) Title: Linear conic optimization, correlations and nonlocal games Time: 1:30pm on July 22 Place: 6C-442 Abstract: In this work we study the sets of two-party correlations generated from a Bell scenario involving two spatially separated systems with respect to various physical models. We show that the sets of classical and quantum correlations can be expressed as projections of affine sections of appropriate convex cones. As a by-product, we identify an easy-to-compute lower bound on the smallest Hilbert space dimension needed to generate an arbitrary two-party quantum correlation. Furthermore, using our conic formulations we identify a spectrahedral outer approximation to the set of quantum correlations which is contained in the first level of the Navascues, Pironio and Acin (NPA) hierarchy and also, a sufficient condition for the set of quantum correlations to be closed. Lastly, by our conic formulations, the value of a nonlocal game over the sets of classical and quantum correlations can be cast as a linear conic program over an appropriate convex cone. Using this we show that deciding the existence of a perfect quantum (resp. classical) strategy is equivalent to deciding the feasibility of a linear conic program. This allows us to recover the linear conic formulations for the quantum chromatic number and quantum graph homomorphisms that were recently derived in the literature. Based on joint work with Jamie Sikora and Zhaohui Wei -- Cyril Stark Center for Theoretical Physics Massachusetts Institute of Technology 77 Massachusetts Ave, 6-304 Cambridge, MA 02139, USA _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

8 years, 9 months

[Aspuru-Guzik group list] [qip] Antonios Varvitsiotis is visiting us

by Cyril Stark

Dear All, Antonios Varvitsiotis from the Centre for Quantum Technologies at NUS Singapore is visiting us until Thursday (July 23rd). Antonios is giving a talk tomorrow at 1:30pm (July 21st; room 6C-442). Details follow later. Please let me know if you want to schedule a meeting with Antonios. Best, cyril -- Cyril Stark Center for Theoretical Physics Massachusetts Institute of Technology 77 Massachusetts Ave, 6-304 Cambridge, MA 02139, USA _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

8 years, 9 months

[Aspuru-Guzik group list] Today Friday July 17th

by Luongo, Amanda

Happy Friday All, Just to let you know, Marlon is out of the office today and I will be leaving around 3:00! So, if you need anything let me know beforehand. Have a great weekend everyone, Amanda ___________________ Amanda Luongo Faculty Assistant Aspuru-Guzik Group Harvard University Department of Chemistry and Chemical Biology 12 Oxford St. M 136 Cambridge, MA 02138 P: (617) 496-1716<tel:%28617%29%20496-1716> F: 617-496-9411<tel:617-496-9411>

8 years, 9 months

2024

2023

2022

2021

2020

2019

2018

2017

2016

2015

2014

2013

2012

2011

2010

2009

2008

2007

2006

aspuru-list July 2015