From owner-chemistry@ccl.net Wed Sep 28 08:15:00 2016 From: "carlos simmerling carlos.simmerling|stonybrook.edu" To: CCL Subject: CCL: ACS COMP Division awards deadlien this week Message-Id: <-52385-160928064923-437-nqkkuvMI1L6HN5S86lO+2Q{:}server.ccl.net> X-Original-From: "carlos simmerling" Date: Wed, 28 Sep 2016 06:49:21 -0400 Sent to CCL by: "carlos simmerling" [carlos.simmerling##stonybrook.edu] hi all, forgive the slightly off-topic email, but participants on this list often apply for these awards. Feel free to forward to anyone that might be interested. thanks Carlos Simmerling ---------------------------------------------------------------------------- -------------- Applications are open for travel awards from the ACS Division of Computers in Chemistry, to be awarded at the Spring 2017 national meeting in San Francisco, California (April 2-6, 2017). Please follow the links below for information on how to apply. The deadline to apply for the CCG, Wiley or OpenEye awards is midnight EDT Monday, September 30, 2016. 1) CCG Research Excellence award (graduate students) http://www.acscomp.org/awards/chemical-computing-group-excellence-award 2) Wiley Computers in Chemistry Outstanding Postdoc Award http://www.acscomp.org/awards/the-comp-acs-outstanding-postdoc-award 3) OPENEYE Outstanding Junior Faculty Award (tenure-track Assistant Professors) http://www.acscomp.org/awards/the-comp-acs-outstanding-junior-faculty-award 4) NVIDIA GPU Award for Best GPU Poster http://www.acscomp.org/awards/nvidia-gpu-award More information on the ACS COMP division can be found on the web site at http://www.acscomp.org, or by contacting acs.comp.awards:gmail.com. Please forward this information to any relevant research labs or email lists. Carlos Simmerling Chair, ACS COMP Division Awards Committee Professor, Department of Chemistry Stony Brook University Stony Brook, NY 11794-3400 carlos.simmerling *|* stonybrook.edu From owner-chemistry@ccl.net Wed Sep 28 10:52:00 2016 From: "Marcel Swart marcel.swart(-)icrea.cat" To: CCL Subject: CCL: Last days of DFT poll Message-Id: <-52386-160928093609-15508-UGWA7olcgIvsdBin7CwE4Q|server.ccl.net> X-Original-From: "Marcel Swart" Date: Wed, 28 Sep 2016 09:36:07 -0400 Sent to CCL by: "Marcel Swart" [marcel.swart : icrea.cat] The 2016 edition of the Annual DFT Popularity Poll will end soon (October 1!!). Your preferences for the poll can be entered at www.marcelswart.eu/dft-poll or directly at www.surveymoz.com/s/dft-poll2016. This year's edition continues with the new format of having three questions. With the third question participants can indicate for each functional on the list (both Primera and Segona Divisi 2016), what is their preference for a total of 11 properties (see also Rule #8): Reaction barriers Vibrational frequencies, Normal modes, Thermodynamics Dispersion energy, - stacking Hydrogen bonds Excitation energies and chiroptical properties Main group elements Transition metals Relativistic elements NMR shieldings, NMR couplings Geometries Spin-state splittings For each of these properties one can choose between the following five preferences: ++ Love it ; + Like it ; 0 Neutral ; - Dislike it ; -- Hate it (only for the third question) New in this years edition is that (if wanted) one can save the (partial) answers, and then continue later. This has been added to enable one to respond to the third question in all time that is needed. As usual the poll ends on October 1, after which a news item will be published with the 2016 results, and the full results will be made available through www.marcelswart.eu/dft-poll (just as was done for the 2015 edition). Best regards, Marcel Swart Matthias Bickelhaupt Miquel Duran From owner-chemistry@ccl.net Wed Sep 28 11:27:00 2016 From: "Carlos Simmerling carlos.simmerling{=}gmail.com" To: CCL Subject: CCL: ACS COMP Division awards deadlien this week Message-Id: <-52387-160928100549-23611-hFCCEIU17m/GS8rB6YNBBQ:server.ccl.net> X-Original-From: Carlos Simmerling Content-Type: multipart/alternative; boundary=001a114aa8d2321e68053d91db22 Date: Wed, 28 Sep 2016 10:05:10 -0400 MIME-Version: 1.0 Sent to CCL by: Carlos Simmerling [carlos.simmerling ~ gmail.com] --001a114aa8d2321e68053d91db22 Content-Type: text/plain; charset=UTF-8 sorry for the typo, the deadline is FRIDAY not Monday. The date of 9/30/16 is correct. On Wed, Sep 28, 2016 at 6:49 AM, carlos simmerling carlos.simmerling| stonybrook.edu wrote: > > Sent to CCL by: "carlos simmerling" [carlos.simmerling##stonybrook.edu] > hi all, > forgive the slightly off-topic email, but participants on this list often > apply for these awards. Feel free to forward to anyone that might be > interested. > thanks > Carlos Simmerling > ------------------------------------------------------------ > ---------------- > -------------- > Applications are open for travel awards from the ACS Division of Computers > in Chemistry, to be awarded at the Spring 2017 national meeting in San > Francisco, California (April 2-6, 2017). Please follow the links below for > information on how to apply. The deadline to apply for the CCG, Wiley or > OpenEye awards is midnight EDT Monday, September 30, 2016. > > 1) CCG Research Excellence award (graduate students) > http://www.acscomp.org/awards/chemical-computing-group-excellence-award > 2) Wiley Computers in Chemistry Outstanding Postdoc Award > http://www.acscomp.org/awards/the-comp-acs-outstanding-postdoc-award > 3) OPENEYE Outstanding Junior Faculty Award (tenure-track Assistant > Professors) > http://www.acscomp.org/awards/the-comp-acs-outstanding- > junior-faculty-award > 4) NVIDIA GPU Award for Best GPU Poster > http://www.acscomp.org/awards/nvidia-gpu-award > > More information on the ACS COMP division can be found on the web site at > http://www.acscomp.org, or by contacting acs.comp.awards^_^gmail.com. > > Please forward this information to any relevant research labs or email > lists. > Carlos Simmerling > Chair, ACS COMP Division Awards Committee > Professor, Department of Chemistry > Stony Brook University > Stony Brook, NY 11794-3400 > carlos.simmerling *|* stonybrook.edu> > > --001a114aa8d2321e68053d91db22 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
sorry for the typo, the deadline is FRIDAY not Monday. The= date of 9/30/16 is correct.

On Wed, Sep 28, 2016 at 6:49 AM, carlos simmerling carlos.= simmerling|stonybrook.edu <o= wner-chemistry=-=ccl.net> wrote:

Sent to CCL by: "carlos=C2=A0 simmerling" [carlos.simmerling##stonybr= ook.edu]
hi all,
forgive the slightly off-topic email, but participants on this list often apply for these awards. Feel free to forward to anyone that might be
interested.
thanks
Carlos Simmerling
-----------------------------------------------------------------= -----------
--------------
Applications are open for travel awards from the ACS Division of Computers<= br> in Chemistry, to be awarded at the Spring 2017 national meeting in San
Francisco, California (April 2-6, 2017).=C2=A0 Please follow the links belo= w for
information on how to apply. The deadline to apply for the CCG, Wiley or OpenEye awards is midnight EDT Monday, September 30, 2016.

1) CCG Research Excellence award (graduate students)
http://www.acscomp.org/awards= /chemical-computing-group-excellence-award
2) Wiley Computers in Chemistry Outstanding Postdoc Award
http://www.acscomp.org/awards/the-comp-acs-outstanding-postdoc-award
3) OPENEYE Outstanding Junior Faculty Award (tenure-track Assistant
Professors)
http://www.acscomp.org/aw= ards/the-comp-acs-outstanding-junior-faculty-award
4) NVIDIA GPU Award for Best GPU Poster
http://www.acscomp.org/awards/nvidia-gpu-award

More information on the ACS COMP division can be found on the web site at htt= p://www.acscomp.org, or by contacting acs.comp.awards^_^gmail.com.

Please forward this information to any relevant research labs or email
lists.
Carlos Simmerling
Chair, ACS COMP Division Awards Committee
Professor, Department of Chemistry
Stony Brook University
Stony Brook, NY 11794-3400
carlos.simmerling *|* stonybrook.edu



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