aspuru-list January 2017

aspuru-list@lists.fas.harvard.edu

18 participants
47 discussions

[Aspuru-Guzik Group List] Fwd: FW: CCB 5K - Discount code!

by Felixander Negron

FYI *Felixander Negron* *Laboratory Administrator * *Aspuru-Guzik Group* *Harvard University **Department of Chemistry and Chemical Biology* *12 Oxford St. M 136* *Cambridge, MA 02138* *P:** (617) 496-9964** F: **617-496-9411* *From:* ccb_staff-bounces(a)lists.fas.harvard.edu [mailto:ccb_staff-bounces@ lists.fas.harvard.edu] *On Behalf Of *Schwickrath, Helen L. *Sent:* Friday, January 13, 2017 2:18 PM *To:* 'ccb_postdocs(a)lists.fas.harvard.edu' <ccb_postdocs(a)lists.fas. harvard.edu>; 'ccb-gradstudents-list(a)lists.fas.harvard.edu' < ccb-gradstudents-list(a)lists.fas.harvard.edu>; CCB Staff < ccb_staff(a)lists.fas.harvard.edu>; othergradstudents at Chemistry < othergradstudents-list(a)lists.fas.harvard.edu> *Subject:* [CCB_Staff] FW: CCB 5K - Discount code! Dear CCB, The time has come again - sign up to run in the annual CCB 5km (3.1mile) race! Every year, all labs affiliated with CCB are able compete for the coveted CCB Cross Country Trophy (currently held by the O’Shea lab). The race to enter is the Ras na hEierann 5K, held in Davis Square on the 19th of March - details here: http://baevents.com/rasnaheireann/ <https://urldefense.proofpoint.com/v2/url?u=http-3A__baevents.com_rasnaheire…> . Entry includes a shirt, post-race beer(s) and medal for finishers. This year I have negotiated a discount for our department on each entry (only $1, but every little helps!). To obtain your discount, enter the code: CHEMHARV001 when you register on-line. This will also allow us to track who is entered from the Chemistry department. If you enter without this discount code, send me an email so I can add you to the scoring list. *Scoring Info * Labs will need only FIVE RUNNERS to field a team! The scoring will be as follows: The race attracts >2,000 runners each year. Each successful runner from CCB will finish with a place amongst all the other runners in the race within their gender. The top five placed athletes from each lab will have their places summed and this will form the preliminary ‘score’ of that lab. IN ADDITION - EVERYONE WHO RACES, CONTRIBUTES. For each additional person (beyond the five best placed lab members) in a lab who successfully runs the race will earn a bonus NEGATIVE FIVE points for their lab. The lab with the lowest final score wins. Please don’t hesitate to contact me if you have any questions about the scoring or the race. Happy running, Holly Rees (Liu lab)

7 years, 3 months

[Aspuru-Guzik Group List] JP licks from Cohen group

by Joey Goodknight

Prof. Cohen has offered us their leftover JP Licks from their meeting this afternoon; it is in the freezer in Alan's old office.

7 years, 3 months

[Aspuru-Guzik Group List] Goodbye party for Dmitry today at 3pm in Siberia

by Semion Saikin

Guys, We are going to have goodbye party for Dmitry Zubarev, who is leaving to IBM, in a couple of hours in Siberia. Please stop by to give him a hug and have a drink. Cheers, Semion --

7 years, 3 months

[Aspuru-Guzik Group List] Registration for EFRC All Hands Meeting - January 25

by Siria Serrano

Good morning, Group Cathy Bourgeois from the Center for Excitonics is asking everyone who is planning to attend the All Hands Meeting on the 25th to please register. The registration is below, please do this as soon as possible. Registration Link <https://docs.google.com/forms/d/e/1FAIpQLSfqHgX-rmFCIssurdXQF0tugU7yuhpiCKO…> -- *Siria Serrano* *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 <%28617%29%20496-1716>** F: **617-496-9411 <617-496-9411>*

7 years, 3 months

[Aspuru-Guzik Group List] Fwd: COSMOlogic: Information on our HTS fluid screening in the FVV project

by Alan Aspuru-Guzik

FYI ---------- Forwarded message --------- From: Johannes Schwöbel <schwoebel(a)cosmologic.de> Date: Fri, Jan 13, 2017 at 5:15 AM Subject: Re: COSMOlogic: Information on our HTS fluid screening in the FVV project To: Alan Aspuru-Guzik <aspuru(a)chemistry.harvard.edu> [image: SaneBox] *SaneAttachments*: The attachments in this email have been copied to Dropbox by the magic of SaneBox <http://sanebox.com>. Click link bellow: Schwoebel-et-al_2017_HTS-Working-Fluids-ORC_ie6b03857_ASAP.pdf <https://db.tt/RY3FNxw7s9> - Dropbox/SaneBox/Johannes Schwöbel/Re_ COSMOlogic_ Information on our HTS ..., 2017-01-13 05.15.10 AM/ * Click the link above or find it in Dropbox with the path of the file provided next to the link. You can also forward this email as usual. Learn more <http://help.sanebox.com/customer/portal/articles/473528-sane-attachments>. * ------------------------------ Dear Alan, You wanted to be informed as soon as we have publications on fluid screening performed at COSMOlogic. Our first peer-reviewed manuscript on our screening for the German automotive industry got accepted and published officially today, I send you a reprint attached: "High-Throughput-Screening of Working Fluids for the Organic Rankine Cycle (ORC) based on COSMO-RS and Thermodynamic Process Simulations" http://pubs.acs.org/doi/abs/10.1021/acs.iecr.6b03857 <https://urldefense.proofpoint.com/v2/url?u=http-3A__pubs.acs.org_doi_abs_10…> Yes, looking forward to being in contact! Kind regards, Johannes Am 05.09.2016 um 21:35 schrieb Alan Aspuru-Guzik: Dear Johannes Nice to meet you! I will keep this in mind to cite your contributions in our future work. Many thanks for approaching me and look forward to being in contact, Alan On Monday, September 5, 2016, Johannes Schwöbel <schwoebel(a)cosmologic.de> wrote: *SaneAttachments*: The attachments in this email have been copied to Dropbox by the magic of SaneBox <https://urldefense.proofpoint.com/v2/url?u=http-3A__sanebox.com&d=CwMDaQ&c=…> . FVV_COSMOlogic_PacifiChem_2015_final.pdf <https://urldefense.proofpoint.com/v2/url?u=https-3A__db.tt_Gu1oNwfd&d=CwMDa…> - Dropbox/SaneBox/Johannes Schwöbel/COSMOlogic_ Information on our HTS flui..., 2016-09-05 07.54.42 AM/ FVV_Tagungsband_Ideal-Rankine-Fluid_FINAL.pdf <https://urldefense.proofpoint.com/v2/url?u=https-3A__db.tt_TR5i7ULi&d=CwMDa…> - Dropbox/SaneBox/Johannes Schwöbel/COSMOlogic_ Information on our HTS flui..., 2016-09-05 07.54.42 AM/ * Click the links above or find them in Dropbox with the path of the file provided next to the link. You can also forward this email as usual. Learn more <https://urldefense.proofpoint.com/v2/url?u=http-3A__help.sanebox.com_custom…>. * ------------------------------ Dear Prof. Aspuru-Guzik, Thank you very much in the interest in our high-throughput fluid screening performed at COSMOlogic for the German Research Association for Combustion Engines (FVV)! This screening was performed in the complete known chemical space, as represented by the PubChem database with more than 72 million entries, and involved more than 2 million quantum chemical and COSMOtherm calculations. I send you two documents attached: One poster presented at the PacifiChem, and one manuscript related to our presentation at the FVV Annual Meeting in September 2015, Frankfurt. More details will be shown in two upcoming publications. In addition, we have two websites associated with the project: - http://www.cosmologic.de/service-consulting.html <https://urldefense.proofpoint.com/v2/url?u=http-3A__www.cosmologic.de_servi…> (summary of the project) - https://cosmologic-services.de/special/fvv/fvvfluid.php <https://urldefense.proofpoint.com/v2/url?u=https-3A__cosmologic-2Dservices.…> (collection of calculated thermodynamic properties of working fluids) If you have any questions or comments, feel free to ask me! Kind regards, Johannes -- Dr. Johannes Schwöbel COSMOlogic GmbH & Co. KG Imbacher Weg 46 51379 Leverkusen, Germany phone +49-2171-3636673 fax +49-2171-731689 e-mail schwoebel(a)cosmologic.de web www.cosmologic.de <https://urldefense.proofpoint.com/v2/url?u=http-3A__www.cosmologic.de&d=CwM…> COSMOlogic supports OpenPGP email security HRA 20653 Amtsgericht Koeln, GF: Dr. Andreas Klamt Komplementaer: COSMOlogic Verwaltungs GmbH HRB 49501 Amtsgericht Koeln, GF: Dr. Andreas Klamt -- 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

7 years, 3 months

[Aspuru-Guzik Group List] Visitors from the Army Research Laboratory: Jan 23-24

by Daniel Tabor

Hi all, On Monday January 23 and Tuesday January 24, we will be hosting two visitors from the Army Research Laboratory, William Mattson and Brian Barnes. The main objective of their visit is to talk with everyone that is working on screening and machine learning, but they appear to also have interests in excitonics. Additionally, I think that they have some experience in large scale electronic structure calculations and William appears to have done a molecular dynamics study of detonation(!) in the 1990s. I found Brian's website and William's researchgate page if you'd like to learn more about them. http://www.orau.org/arlfellowship/profiles/barnes.htm https://www.researchgate.net/profile/William_Mattson Since they are going to be here for two days, there are plenty of times to meet with them and it'd be nice to not have everyone do one hour meetings. If you'd like to meet with them, please fill out this doodle poll with the times you are available. Please email me if you would like to have longer than a 30 minute meeting. http://doodle.com/poll/ezv935pqq8szyhiz Finally, send me an email if you would like to have either lunch (Monday or Tuesday) or dinner (Monday) with them. Thanks, Danny

7 years, 3 months

[Aspuru-Guzik Group List] Board Game night next Wednesday, 1/18, 6pm

by Jennifer Wei

Hi Everyone, Based on the survey results, it looks like our board game night will be next Wednesday, Jan. 18th, at 6pm. Let's plan to meet at the division room at 6pm. Hopefully the room is free and we can play there. We can also order some take out for dinner. For games I will bring: - Codenames (similar to scattegories) - Dixit (picture based apples-to-apples) - Bang! - a deck of cards Feel free to bring anything that you think would complement the set. Also, feel free to bring other friends that would be interested in playing. Cheers, Jennifer

7 years, 3 months

[Aspuru-Guzik Group List] Harvard X Scouting the Lab on Thursday, January 19th at 2:30PM

by Siria Serrano

Group, Please note that we will have a Harvard X crew scouting tour Lab on Thursday, January 19th to figure out the best way to film it on Tuesday the 24th. They may ask some of you if they can be around on the 24th, but otherwise, they'll try to stay out of your way. They are planning on being here for only an hour 2:30-3:30PM. This is all part of Alan's Harvard X course. Cheers, Siria -- *Siria Serrano* *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 <%28617%29%20496-1716>** F: **617-496-9411 <617-496-9411>*

7 years, 3 months

[Aspuru-Guzik Group List] Fwd: Faculty position in PChem at UCSD

by Alan Aspuru-Guzik

FYI! ---------- Forwarded message --------- From: Joel Yuen <joelyuen(a)ucsd.edu> Date: Tue, Jan 10, 2017 at 11:36 PM Subject: Faculty position in PChem at UCSD To: Garnet Chan <gkc1000(a)gmail.com>, Carlos Jimenez-Hoyos < jimenez.hoyos(a)gmail.com>, Thomas Miller <tfm(a)caltech.edu>, Alan Aspuru-Guzik <alan(a)aspuru.com> Dear colleagues, First of all, happy new year! I thought you might be interested in the following information. Please advertise this position to people who might be interested https://apol-recruit.ucsd.edu/apply/JPF01318 We had some bureaucratic issues which delayed our posting. We'll be reviewing files at the beginning of February. I have been told that the real emphasis will be on environmental/analytical chemistry. See job description in the ad. However, given how late we are carrying out the search, we'll look broadly at all fields of physical chemistry, including theory. Best regards, -- Joel Yuen-Zhou, PhD Assistant Professor http://yuenzhougroup.ucsd.edu/ University of California San Diego Department of Chemistry and Biochemistry 9500 Gilman Dr MC 0340 La Jolla, 92093-0314, USA

7 years, 3 months

[Aspuru-Guzik Group List] January 19th Materials Sub Group Meeting Canceled

by Siria Serrano

Dear Materials Team, This is to inform you that the January 19th Materials meeting is canceled. The next Materials Sub Group Meeting will take place on February 23rd. Cheers, Siria -- *Siria Serrano* *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 <%28617%29%20496-1716>** F: **617-496-9411 <617-496-9411>*

7 years, 3 months

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aspuru-list January 2017