aspuru-list March 2018

aspuru-list@lists.fas.harvard.edu

16 participants
39 discussions

[Aspuru-Guzik Group List] Prof. England seminar

by Gelbwaser, David

Hi everyone, On Tuesday (March 27th), at 1:30 pm we will have a special seminar from Prof. Jeremy England from MIT. See abstract and title below. If someone is also interested on having a one to one meeting with him, I may be able to set a one to one meeting with him during the morning. Just let me know. Best David "No Turning Back: The Nonequilibrium Statistical Thermodynamics of becoming (and remaining) Life-Like" There are certain, specific behaviors that are particularly distinctive of life. For example, living things self-replicate, harvest energy from challenging environmental sources, and translate experiences of past and present into actions that accurately anticipate the predictable parts of their future. What all of these activities have in common from a chemical physics standpoint is that they generally take place in the far-from-equilibrium regime, where dissipation drives strong dynamical irreversibility. We have therefore sought to understand the emergence and persistence of life-like phenomena in fluctuating, classical many-body systems by proving and applying general results in nonequilibrium statistical mechanics. How fast are self-replicators allowed to grow, and when do they spontaneously emerge? How much energy must a chemical network harvest to sustain itself away from equilibrium, and when can it learn to do so through self-organization? We report recent progress in tackling these questions and others using theory and simulation. On Wed, Mar 7, 2018 at 9:53 AM, Jeremy England <jengland(a)mit.edu<mailto:jengland@mit.edu>> wrote:

6 years, 1 month

[Aspuru-Guzik Group List] Visit and talk by Dr. Maxwell D. Radin

by "Loïc M. Roch"

Dear All, Tomorrow (March 26th) we will have a postdoc candidate, Dr. Maxwell D. Radin from the University of California, Santa Barbara. He will give a talk at 11AM in the division room. Title and abstract to follow soon. If you would like to meet with him, please contact me via Slack. Also, let me know if you would like to join for lunch. Best, Loïc

6 years, 1 month

[Aspuru-Guzik Group List] Fwd: [grads] campus access to LaTeX and Overleaf Pro

by Tim Menke

Overleaf Pro access provided by Harvard! > Begin forwarded message: > > From: "Werbeloff, Marina D" <werbeloff(a)fas.harvard.edu> > Subject: [grads] campus access to LaTeX and Overleaf Pro > Date: March 23, 2018 at 10:08:44 EDT > To: "'faculty(a)physics.harvard.edu'" <faculty(a)physics.harvard.edu>, "'grads(a)physics.harvard.edu'" <grads(a)physics.harvard.edu>, "'research(a)physics.harvard.edu'" <research(a)physics.harvard.edu>, "'Staff (staff(a)physics.harvard.edu)'" <staff(a)physics.harvard.edu> > > fyi: > > From: HLComms [mailto:hlcomms-bounces+werbeloff=physics.harvard.edu@calists.harvard.edu <mailto:hlcomms-bounces+werbeloff=physics.harvard.edu@calists.harvard.edu>] On Behalf Of Vedantham, Anu > > We are glad to announce university-wide access <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.overleaf.com_edu_h…> for Overleaf Pro+ which includes ShareLaTeX Premium. Overleaf enables collaborative real-time writing of articles with equations, graphs and tables. With the appropriate templates, Overleaf saves substantial time in article preparation, especially with co-authors from multiple institutions. Overleaf plays well with Zotero <https://guides.library.harvard.edu/zotero> to manage citations with easy import <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.overleaf.com_blog_…>. > > Harvard already has over 1,500 Overleaf users. Now all Harvard faculty, students and staff can have Overleaf Pro accounts connected to their Harvard credentials. Create yours <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.overleaf.com_edu_h…> now! > > Beyond the benefit to users, the university-wide access enables insights into Harvard usage analytics, supports faculty and students to create and disseminate scholarship, and facilitates course-based projects. A few technical details: > For those already using Overleaf, the Pro+ account increases storage (20 Gb and 1,000 files per project), supports secure project sharing, maintains full project history with version control, connects to Dropbox, and expands technical assistance. > For those already using ShareLaTex, the Pro+ account includes premium access. Upgrade an existing account by confirming that the account is associated <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.sharelatex.com_use…> with a Harvard email address and requesting an upgrade invite <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.sharelatex.com_use…>. > We plan to add templates to ease the process of creating dissertations, theses and other publications. You can recommend your favorite templates at http://ask.library.harvard.edu <http://ask.library.harvard.edu/>. We will add workshops on Overleaf and ShareLaTex on the Library Calendar <http://library.harvard.edu/library-calendar>. Browse the Overleaf LibGuides <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.overleaf.com_blog_…> to get started, and contact us with questions <https://ask.library.harvard.edu/>. > > Campus-wide Overleaf access is brought to you by Harvard Library, and builds on the Harvard Smithsonian CFA Overleaf <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.overleaf.com_edu_h…>project. Our thanks to David Malan <https://cs.harvard.edu/malan/>, Gordon McKay Professor of the Practice of Computer Science, for his leadership of this effort. > > Supporting platforms such as Overleaf that enable collaboration, information-sharing and dissemination of scholarship is an important part of Harvard Library’s mission <https://library.harvard.edu/objectives-priorities>. > > This note is online at https://sap.library.harvard.edu/blog/overleaf-pro-campus-wide <https://sap.library.harvard.edu/blog/overleaf-pro-campus-wide> > > > -- > Anu Vedantham <https://urldefense.proofpoint.com/v2/url?u=http-3A__works.bepress.com_anu&d…>, Ed. D. (she/her) > Director of Learning and Teaching Services > FAS Libraries <http://www.fas.harvard.edu/pages/libraries> (Part of Harvard Library <http://library.harvard.edu/>) > Harvard University <http://www.harvard.edu/> > Widener Library Room 240A > (617) 998-5172 > vedantham(a)harvard.edu <mailto:vedantham@harvard.edu> > (Look up my availability to meet <https://urldefense.proofpoint.com/v2/url?u=http-3A__tinyurl.com_availanu&d=…>) > _______________________________________________ > Grads mailing list - Contact Lisa Cacciabaudo for issues.

6 years, 1 month

[Aspuru-Guzik Group List] [qip] group meeting tomorrow

by Aram Harrow

Dear quanta, We will have a a group meeting tomorrow in 6-310 / 11am as usual. I think we don't have a speaker lined up, so please everyone come prepared to talk for 2-3 minutes about what you've been thinking about lately. It could be your current research, a good paper you've seen lately, or some commentary on Bolton's mustache. aram _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

6 years, 1 month

[Aspuru-Guzik Group List] IMPORTANT: WEBSITE INFO NEEDED ******MONDAY****** MANDATORY.

by Alan Aspuru-Guzik

Dear *all group members*, It is mandatory that you contact Tere (ttamayo90(a)gmail.com) to setup a time slot to GO DOWNSTAIRS TO THE MATERIALS OFFICE to setup your subpage for the new group website. The *TIME WINDOW* is 1-4 PM NEXT MONDAY in the meeting room downstairs. If you are *not* in town on Monday, you should send her some basic info that she will ask you for over the weekend. If you don't send her the information by Monday, you will get scolded by me. Also be prepared to stay with her to look at the website, edit pages, give feedback, etc. THANK YOU, and again, DO THIS your boss is asking you to do it :). Alan Alán Aspuru-Guzik | Professor of Chemistry and Chemical Biology Harvard University | 12 Oxford Street, Room M138 | Cambridge, MA 02138 (617)-384-8188 | http://aspuru.chem.harvard.edu | http://about.me/aspuru

6 years, 1 month

[Aspuru-Guzik Group List] Reminder: ITAMP lunch seminar - Shengtao Wang, Harvard University (today, 12:00 PM)

by Bekenstein, Rivka

*ITAMP Lunch Seminar* *Speaker:* Shengtao Wang (Harvard University) *Date:* Thursday, March 22nd *Time:* 12:00-1:00 pm Includes Pizza. *Title: Quantum approximate optimization: performance and applications with MaxCut and maximum independent set problems* *Abstract: *The Quantum Approximate Optimization Algorithm (QAOA) is a variational method proposed to find approximate solutions for combinatorial optimization problems. However, finding the optimal variational parameters becomes exponentially difficult as the depth p of the QAOA circuit increases. We propose a systematic method to efficiently find (quasi-)optimal variational parameters. Using our proposed approach, we numerically benchmark the performance of QAOA on MaxCut and Maximum Independent Set (MIS) problems up to p≤50. We find that while QAOA generically behaves similarly to quantum adiabatic algorithm (QAA), it can outperform QAA by multiple orders of magnitude in computation time for hard problem instances. We also discuss how the MIS problem can be naturally implemented using systems of trapped Rydberg atoms. *Location: *B-106 @ Center for Astrophysics (60 Garden Street) *Directions: *After entering the lobby of the CfA, turn right to enter the hallway of the B building. In the hallway, turn right again, B-106 will be at the end of the hallway on the left side.

6 years, 1 month

[Aspuru-Guzik Group List] [THEOCHEM seminar] James Kindt visit

by Teresa Tamayo

Dear all, My name is Rostam (rrazban(a)g.harvard.edu); a G3 in the Chemistry Department. On Thursday, March 29th, I will be hosting Professor Kindt from Emory University as part of the Theoretical Chemistry Lecture Series <https://urldefense.proofpoint.com/v2/url?u=http-3A__people.bu.edu_theochem_…>. Please contact me if you are interested in meeting Professor Kindt. His talk is at MIT on 3/28 Best, Rostam Cluster Free Energies From Simple Simulations Of Small Systems, With Help >From Number Theory03/28/18 4:15PM MIT Building 4, Room 163James KindtEmory University <https://scholarblogs.emory.edu/kindtgroup/> [image: James Kindt] This lecture will start with a review of the statistical thermodynamic basis for the conventional treatment of chemical equilibrium, and a discussion of how this treatment breaks down for small systems. This fundamental derivation inspired a “brute-force” strategy based on explicit enumerations of integer partitions, to allow ensemble-averaged equilibrium concentrations to be related to cluster free energies even for small systems. A more elegant and computationally cheaper approach called “PEACH” (Partition-Enabled Analysis of Cluster Histograms) formulated in collaboration with members of the number theory group at Emory, will then be presented. Evidence from coarse-grained simulations of an anionic surfactant will be presented to validate the PEACH approach. A case where the method worked suspiciously well (nanodroplet formation from methyl t-butyl ether) will then be discussed, along with how it led us to a simple strategy to reduce complications from non-ideal effects in aggregation equilibria. Finally, PEACH analysis of equilibria involving NaCl clustering in three solvent environments will be used to illustrate qualitatively different pathways towards formation of an ordered precipitate from supersaturated solution.

6 years, 1 month

[Aspuru-Guzik Group List] Group meeting, Thu Mar 22, 3:30 PM, Div Room

by Ian Kivlichan

Hi all, Tomorrow Dennis will speak at group meeting. See below for his title and abstract. Best, Ian ----------------- Title: Charge π-Delocalization in Oligofurans Abstract: I will present my previous work in the field of organic electronics that was done in Weizmann Institute of Science, Israel. The group of Michael Bendikov introduced a new family of conjugated organic electronic materials, a-oligofurans. Oligofurans exhibit higher fluorescence, better packing, greater rigidity, and higher solubility than the corresponding oligothiophenes. Additionally, oligofurans display good electronic properties, e.g., field effect mobilities and on-off ratios, similar to those of the corresponding oligothiophene analogues. One-electron oxidation of the oligofurans produces well-defined cation radicals, which can serve as a model for the lightly–moderately doped state of the corresponding conjugated polymers. I will present an experimental (EPR, Vis-UV-NIR) and computational (DFT, ab-initio) study of the cation radicals of long oligofurans. I will present results on a charge π-delocalization (i.e., polaron) from experiment and calculations. Several experimental techniques were employed to study the delocalization of polaron in conjugated oligomers and polymers and to estimate its delocalization length. However, these methods are indirect and use complicated analysis and assumptions. Here we perform a direct study of the π-delocalization by EPR spectroscopy on oligofuran cation radicals with increasing chain length as a model for π-conjugated 5-member-heterocycle based polymers (e.g., polythiophene). EPR spectroscopy can provide us with direct estimation of spin density on each atom (from which we can learn about delocalization length) through hyperfine coupling constants (HFCC).

6 years, 1 month

[Aspuru-Guzik Group List] TODAY: ITAMP/HQOC Joint Quantum Sciences Seminar - Wednesday, March 21, 2018 @ 4:00

by Dakoulas, Samantha R

ITAMP/HQOC Joint Quantum Sciences Seminar Wednesday, March 21, 2018 4:00 PM, Jefferson 250 Prof. Markus Aspelmeyer, University of Vienna “Quantum optomechanics with levitated solids: sensing, simulation and the gravity-quantum interface” I will discuss our current experiments to achieve quantum optical control over motional states of levitated solids. This includes dielectric nanospheres coupled to Fabry-Perot cavities and nanophotonic structures, as well as micron-sized superconductors and magnets that will eventually be coupled to superconducting circuits. I will provide an overview of the status and challenges, and of the perspectives for such experiments for sensing, simulation and for novel tests of the interface between quantum physics and gravity. Guest Presentation will begin at 4:30 PM Refreshments will be provided. Samantha Dakoulas Faculty Assistant to Professors Lukin & Greiner & their groups Department of Physics 17 Oxford St., Lyman 324A Cambridge, MA 02138 P. (617) 496-2544

6 years, 1 month

[Aspuru-Guzik Group List] Reminder: ITAMP/HQOC Joint Quantum Sciences Seminar - Wednesday, March 21, 2018 @ 4:00

by Dakoulas, Samantha R

ITAMP/HQOC Joint Quantum Sciences Seminar Wednesday, March 21, 2018 4:00 PM, Jefferson 250 Prof. Markus Aspelmeyer, University of Vienna “Quantum optomechanics with levitated solids: sensing, simulation and the gravity-quantum interface” I will discuss our current experiments to achieve quantum optical control over motional states of levitated solids. This includes dielectric nanospheres coupled to Fabry-Perot cavities and nanophotonic structures, as well as micron-sized superconductors and magnets that will eventually be coupled to superconducting circuits. I will provide an overview of the status and challenges, and of the perspectives for such experiments for sensing, simulation and for novel tests of the interface between quantum physics and gravity. Student Presentation by Richard Lee Liu will begin at 4:00 Guest Presentation will begin at 4:30 PM Refreshments will be provided. Samantha Dakoulas Faculty Assistant to Professors Lukin & Greiner & their groups Department of Physics 17 Oxford St., Lyman 324A Cambridge, MA 02138 P. (617) 496-2544

6 years, 1 month

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aspuru-list March 2018