aspuru-list February 2017

aspuru-list@lists.fas.harvard.edu

20 participants
56 discussions

[Aspuru-Guzik Group List] ML + Materials subgroup tomorrow, 11a-1p, New Siberia

by Jennifer Wei

Hi everyone, Tomorrow we will have a combined Machine Learning and Materials subgroup meeting at 11am in New Siberia (the Converse office area). Benjamin will be talking about fingerprinting and calibration/regression for molecules for half the time, and then there will be open discussion. Refreshment will be provided. Cheers, Jennifer and Benjamin

7 years, 2 months

[Aspuru-Guzik Group List] [Please Fill Out] Group Tracking Tool

by Siria Serrano

Group Members, We're creating a tracking tool for current and former group members to help with grant proposals and other forms which require basic information of group members. Please take 10 minutes and fill it out. We'd like everyone to submit their survey by *Friday, February 24th at Noon.* *Google Form: *https://goo.gl/forms/NFyQYlgYTs2ASSxh1 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, 2 months

[Aspuru-Guzik Group List] ITAMP lunch seminar - Valentin Kasper (02/23)

by Hannes Pichler

ITAMP Seminar Date: Thursday, February 23th Time: 12:00-1:30 pm Pizza will be served. Speaker: Valentin Kasper (Demler group) Title: Implementing quantum electrodynamics with ultracold atomic systems Abstract: Engineering dynamical gauge fields with ultracold atoms has the important prospect to shed new light on highly debated topics such as the phase diagram of quantum chromodynamics, the thermalization of heavy ion collisions or the non-equilibrium dynamics of the early universe. We discuss a possible experimental realization of quantum electrodynamics in one spatial dimension via a mixture of bosonic 23Na and fermionic 6Li atoms. The local gauge symmetry is realized using heteronuclear boson-fermion spin-changing interactions, which preserve the total spin in every local collision. In comparison to previous proposals we consider a large number of bosons residing on each link between the fermion lattice sites and we determine the atomic system's parameters to describe fundamental processes, such as Schwinger pair production and string breaking. We perform benchmark calculations of the atomic system and of quantum electrodynamics itself using functional integral techniques. The computational results demonstrate that the dynamics of one-dimensional quantum electrodynamics may be realized with ultracold atoms using state-of-the-art experimental resources. 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, and B-106 is there.

7 years, 2 months

[Aspuru-Guzik Group List] Sharon Hammes-Schiffer Theochem visit

by Florian Hase

Hi everyone, we are hosting Prof. Hammes-Schiffer (http://hammes-schiffer-group.org/) from the University of Illinois at Urbana-Champaign for her Harvard visit on Thursday, March 9th as part of the Theochem Lecture Series. She'll be giving a talk on Wednesday, March 8th at 4:15 pm at MIT. Please let us know if you are interested in meeting with her, or in having lunch or dinner with her on Thursday. Thank you! Best Hannah and Flo

7 years, 2 months

[Aspuru-Guzik Group List] Fwd: Ikerbasque Research Fellows Call 2017

by Alan Aspuru-Guzik

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 ---------- Forwarded message ---------- From: Ikerbasque <ikerbasque(a)ikerbasque.net> Date: Mon, Feb 20, 2017 at 10:14 AM Subject: Ikerbasque Research Fellows Call 2017 To: alan(a)aspuru.com *Ikerbasque* would like to inform you that we have launched *a new international call* to reinforce research and scientific career in the Basque Country. We offer: - *15 positions for Promising Researchers* *Ikerbasque Research Fellows* - 5 year contracts - PhD degree between Jan2006-Dec2014 - Support letter from the host group is mandatory - Deadline: March 30th at 13:00 CET For further information, please visit *calls.ikerbasque.net <http://calls.ikerbasque.net>* We would appreciate your help in disseminating this information, in case you know about any colleague that could be interested and meets the requirements of the call. *IKERBASQUE* *Basque Foundation for Science* To unsubscribe from this group, please send us an email to ikerbasque(a)ikerbasque.net Podrá ejercitar su derecho de acceso, rectificación, cancelación y oposición mediante envio de un correo electrónico a la siguiente dirección ikerbasque(a)ikerbasque.net

7 years, 2 months

[Aspuru-Guzik Group List] Group lunch Mar. 1st @ noon

by Jennifer Wei

Hey everyone, Thanks for the fast responses. The most popular choice is next Wednesday, Mar. 1st, so we'll plan on going out then. I'll send out another reminder next week. Also, the top choice for where to go out is ramen. I'll look around and see if there is a ramen place around that will take a reservation for 8-10 people, but if not, we might default to the second option (Indian Buffet) Enjoy the weekend! Cheers, Jennifer

7 years, 2 months

[Aspuru-Guzik Group List] Group Lunch

by Jennifer Wei

Hey everyone, Happy Friday, it's been a while since we've gone as a lab for lunch. Here's a survey, pick the times that work best for you. If none of these work well, I can try again in March. https://goo.gl/forms/CO712WQv2FJBMVTU2 Cheers, Jennifer

7 years, 2 months

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

by Aram Harrow

Dear quanta, We will meet tomorrow at 11am in the usual place (6-310). Daniel Grier will speak. The following week is Peter Shor. -aram _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

7 years, 2 months

[Aspuru-Guzik Group List] Group meeting, Thu Feb 16, M217 (not Div Room!), 3:30 PM

by Ian Kivlichan

Hi all, Tomorrow, Lucas Kocia, a postdoc in Peter Love's group, will talk at group meeting. We'll be in Mallinckrodt 217 (in the Department Center) instead of the Div Room this week, but still at 3:30. The title and abstract for Lucas' talk are below. See you there, and best Ian ----------------- Title: Phase Space Dynamics in Discrete Hilbert Spaces: Stabilizer States in Odd Dimensions Abstract: I will introduce a phase space picture of qudits of odd dimension based on a discrete Wigner-Weyl formalism. Within this framework, we will explore the discrete analogue of Gaussians---stabilizer states---and study their dynamics under unitary gates expanded in powers of Planck's constant. We will find that the action of the so-called Clifford operators, on stabilizer states, is “classical”, and have underlying harmonic Hamiltonians. Such operations have no dependence on phase or quantum interference just like in the continuous case harmonic evolution is completely classical. We will then find that this phase space approach turns out to be useful in defining the computational complexity of the T-gate, which is necessary to supplement the Clifford operators and attain quantum universality.

7 years, 2 months

[Aspuru-Guzik Group List] Theochem: Martin Head-Gordon visit March 1&2

by Nicolas Sawaya

Dear Theochemists, Professor Martin Head-Gordon of UC Berkeley ( http://www.cchem.berkeley.edu/mhggrp/Head-Gordon_Home.html) will be visiting for the Boston Theochem seminar series. Prof. Head-Gordon is one of the most well-known names in electronic structure--his abstract is below. His talk will be at MIT on March 1 ( http://people.bu.edu/theochem/schedule.html), and his visit to *Harvard will be on March 2* (Thursday). *Please let me know if you would be interested in lunch or a meeting slot (no dinner this time).* Title: "Some advances in density functional theory for calculating and analyzing chemical interactions." Density functional theory (DFT) is the most widely used electronic structure theory. Crucial to its future is the problem of designing functionals with improved predictive power. I shall describe a new approach to functional design, “survival of the most transferable”, and show how the resulting functionals offer unprecedented accuracy for DFT calculations of intermolecular interactions. As a counterpoint to this vital numerical development, I will discuss the challenge of obtaining physical insight into DFT calculations of intermolecular and intra-molecular interactions. We are aiming to meet this challenge with new energy decomposition analysis (EDA) methods that variationally separate interactions associated with frozen fragment electronic structure, from any spin-coupling, from induced electrostatics, and forward and backwards charge transfer. Cheers, Nicolas

7 years, 2 months

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aspuru-list February 2017