aspuru-list February 2016

aspuru-list@lists.fas.harvard.edu

34 participants
57 discussions

[Aspuru-Guzik Group List] ITAMP lunch seminar - Francesco Casola, Harvard (Thu, 02/18)

by Igor Pikovski

As we don't expect any snow storms this week, we will have the talk by Francesco Casola (group Ron Walsworth), which had to be cancelled two weeks ago. See details below. Please note that the ITAMP seminars will now be held on Thursdays. *ITAMP Topical Lunch Discussion* Date: Thursday, February 18th Time: 12:00-1:30 pm Pizza will be served. 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. *Speaker:* Francesco Casola(Harvard) *Title:*Harnessing one (electron spin) to measure them all *Abstract: *In recent years, the coherent manipulation and optical addressing of a single electronic spin in nitrogen-vacancy (NV) centers in diamond has emerged as a potential non-perturbative tool to obtain nanoscale spatial and quantitative local information of condensed matter magnetism. In this talk I will present fundamental concepts and review recent results of space-resolved NV magnetometry in the study of novel spin textures and collective spin dynamics of correlated electron systems. Beyond magnetic sensing applications, I will finally present ideas and outline challenges to observe coherent interactions between NVs and fundamental excitation modes in collinear ferromagnets. On 2/5/2016 10:06 AM, Igor Pikovski wrote: > Dear all, > > Due to the closure of the cfa, we will postpone today's Itamp seminar > to another day. > > Best, > Igor > > On 2/3/2016 1:07 PM, Igor Pikovski wrote: >> *ITAMP Topical Lunch Discussion* >> >> Date: Friday, February 5th >> Time: 12:00-1:30 pm >> Pizza will be served. >> >> 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. >> >> *Speaker:* Francesco Casola(Harvard) >> >> *Title:*Harnessing one (electron spin) to measure them all >> >> *Abstract: *In recent years, the coherent manipulation and optical >> addressing of a single electronic spin in nitrogen-vacancy (NV) >> centers in diamond has emerged as a potential non-perturbative tool >> to obtain nanoscale spatial and quantitative local information of >> condensed matter magnetism. In this talk I will present fundamental >> concepts and review recent results of space-resolved NV magnetometry >> in the study of novel spin textures and collective spin dynamics of >> correlated electron systems. Beyond magnetic sensing applications, I >> will finally present ideas and outline challenges to observe coherent >> interactions between NVs and fundamental excitation modes in >> collinear ferromagnets. >> >> -- >> Dr. Igor Pikovski >> Institute for Theoretical Atomic, Molecular and Optical Physics (ITAMP) >> Harvard-Smithsonian Center for Astrophysics >> 60 Garden St, MS-14; Cambridge, MA 02138, USA >> Tel.: +1 (617) 496-7613 >> e-mail:igor.pikovski@cfa.harvard.edu >> www.cfa.harvard.edu/~igor.pikovski/ > > -- > Dr. Igor Pikovski > Institute for Theoretical Atomic, Molecular and Optical Physics (ITAMP) > Harvard-Smithsonian Center for Astrophysics > 60 Garden St, MS-14; Cambridge, MA 02138, USA > Tel.: +1 (617) 496-7613 > e-mail:igor.pikovski@cfa.harvard.edu > www.cfa.harvard.edu/~igor.pikovski/ -- Dr. Igor Pikovski Institute for Theoretical Atomic, Molecular and Optical Physics (ITAMP) Harvard-Smithsonian Center for Astrophysics 60 Garden St, MS-14; Cambridge, MA 02138, USA Tel.: +1 (617) 496-7613 e-mail: igor.pikovski(a)cfa.harvard.edu www.cfa.harvard.edu/~igor.pikovski/

8 years, 1 month

[Aspuru-Guzik Group List] Prof. Nandini Ananth Theochem Visit

by Stéphanie Valleau

Dear all, Prof. Nandini Ananth http://ananth.chem.cornell.edu/people.html is visiting us from Cornell on *Thursday March 10th* as part of the Theochem seminar series. We are her host university so it would be great to get people to meet her :). We also have a *lunch * */ * *dinner *with her on the 10th . You can *meet her *anytime between 11am-12pm and 2.30pm-5.30pm. Let me know if you are interested / sign up! Stephanie ========================================================== Her talk will be on the 9th: "Path Integral Methods for Simulating Nonadiabatic Charge and Energy Transfer Dynamics" abstract can be found here (http://people.bu.edu/theochem/schedule.html) 03/09/16 4:00pm MIT Building 4 Room 163

8 years, 2 months

[Aspuru-Guzik Group List] Fwd: Recipients of the 2016 Dean's Distinction Award

by Alan Aspuru-Guzik

And now finally, the official announcement of Marlon's prize! Alan 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 ---------- Forwarded message ---------- From: Dean Michael D. Smith <fashr(a)fas.harvard.edu> Date: Fri, Feb 26, 2016 at 9:12 AM Subject: Recipients of the 2016 Dean's Distinction Award To: aspuru(a)chemistry.harvard.edu Dear Colleagues, I am delighted to announce the recipients of the 2016 Dean's Distinction. This award honors our highest-achieving FAS staff members, whose contributions, citizenship, and skillful collaboration have delivered outstanding results for the FAS and SEAS in 2015. This year, we celebrate the accomplishments of 38 individual honorees and four teams. This year's recipients made remarkable contributions in the areas of student life, faculty support, continuing education, library services, information technology, research, and administration. Among other things, they helped to build partnerships across schools, supported a new dean, focused on the safety of minors in our athletics programs, and guided students through changing academic requirements and new systems. They kept our buildings and our museums in top shape, improved administrative processes for incoming and existing students, and brought new technology and instructional tools into our classrooms, labs, and libraries. 2016 recipients collaborated broadly, focused on inclusion, and were committed to delivering excellence in all that they accomplished. The team recipients developed a new and inclusive event for all students at the College; developed comprehensive, multimedia museum exhibits that engaged Harvard and public audiences; secured continued accreditation for SEAS engineering programs; and worked together to communicate, advise, and report on a range of Title IX developments and issues. Reading the accounts of the achievements of this year's recipients, one cannot help but be inspired, not only by what they have been able to accomplish, but also by their creativity, generosity of spirit, and commitment to the institution. I am truly grateful to each of this year's recipients for the remarkable positive impact they made on the FAS. I hope you will join me in congratulating each individual listed below. Sincerely yours, Michael D. Smith Edgerley Family Dean of the Faculty of Arts and Sciences John H. Finley, Jr. Professor of Engineering and Applied Sciences *Dean's Distinction 2016 Recipients:* Derek Barton, SEAS Faculty and Lab Administration Thomas Batchelder, Department of History of Art and Architecture Megan Baugh, Division of Continuing Education Susan Berstler, Cabot Science Library, Harvard College Library Franklin Brown, HUIT Department of Infrastructure and Unified Communications Sabinna Cappo, Department of Earth and Planetary Sciences Laurie Chiasson, Harvard Forest Sarah Colgan, Department of Earth and Planetary Sciences Kirsten Colton, Division of Social Science Lenia Constantinou, Department of Human Evolutionary Biology Marlon Cummings, Department of Chemistry and Chemical Biology Maureen Daniels, Center for Nanoscale Systems Jody Fanto, Division of Continuing Education Kelly Haigh, FAS Development Robert Hart, Department of Physics Rudy Hypolite, Instructional Media Services Ramona Islam, Widener Library, Harvard College Library Michaela Kapp, SEAS Faculty and Lab Administration Randy Kiessig, Institute for Quantitative Social Science Ofrit Liviatan, Harvard College Freshman Seminar Program Mary McConnell, Department of History Christina McFadden, FAS Dean's Office Elizabeth Moss Levine, Graduate School of Arts and Sciences Elizabeth Musser, Cabot House, Harvard College Wendy Peiper, Harvard Museums of Science and Culture Brenda Piquet, Department of Economics Keleigh Quinn, Department of Organismic and Evolutionary Biology Duane Reeves, Department of Athletics Joan Rouse, Harvard College Dean's Office Kaitlyn Santa Lucia, FAS Registrar's Office Kathy Santoro, FAS Human Resources Paula Soares, Department of Visual and Environmental Studies Claudia Stearns, SEAS Faculty and Lab Administration Thomas Tribble, Office of Physical Resources and Planning Alexandra Vacroux, Davis Center for Russian and Eurasian Studies Abby Wolf, Hutchins Center for African and African American Research Eric Wong, Harvard College Admissions and Financial Aid Shao-Liang Zheng, Department of Chemistry and Chemical Biology *Haunted Hall Team* Pilar Fitzgerald, Harvard College Office of Student Life Mary Lou Kearns, Harvard Dining Services Tina Bowen, Office for the Arts at Harvard, Memorial Hall/Lowell Hall Complex Torey Martin, Harvard College Freshman Dean's Office Shelby Raglan, Harvard College Office of Student Life Michael Ranen, Harvard College Freshman Dean's Office Katherine Steele, Harvard College Freshman Dean's Office Amy Vest, Harvard College Office of Student Life *Title IX Coordination Team* Anna Anctil, FAS Human Resources Mary Higgins, Division of Continuing Education Garth McCavana, Graduate School of Arts and Sciences Emily Miller, Harvard College Academic Programs Robert Neugeboren, Division of Continuing Education Johannah Park, Office for Faculty Affairs Sandra Stergiou, FAS Human Resources Kwok Yu, Office for Faculty Affairs Jacqueline Yun, Graduate School of Arts and Sciences *Harvard Museums of Science and Culture Exhibit Department* Jennifer Berglund, Harvard Museums of Science and Culture Donald Bissex, Harvard Museums of Science and Culture Anthony Greaney, Harvard Museums of Science and Culture Eben Haines, Harvard Museums of Science and Culture Sylvie Laborde, Harvard Museums of Science and Culture William McCann, Harvard Museums of Science and Culture Tristan Rocher, Harvard Museums of Science and Culture Samuel Tager, Harvard Museums of Science and Culture *ABET Team* Anna Dunavin, SEAS Deans and Related Staff David Hwang, SEAS Office of Academic Programs Patrick Ulrich, SEAS Office of Academic Programs This email was sent to aspuru(a)chemistry.harvard.edu *why did I get this?* <https://urldefense.proofpoint.com/v2/url?u=http-3A__harvard.us7.list-2Dmana…> unsubscribe from this list <https://urldefense.proofpoint.com/v2/url?u=http-3A__harvard.us7.list-2Dmana…> update subscription preferences <https://urldefense.proofpoint.com/v2/url?u=http-3A__harvard.us7.list-2Dmana…> President and Fellows of Harvard College · 1350 Massachusetts Avenue · Cambridge, MA 02138 · USA

8 years, 2 months

[Aspuru-Guzik Group List] Sci-hub.io

by Thomas Markovich

Hey Everyone, I've been using Sci-Hub[1] for the last week or as a replacement for harvard's journal access. I've personally been using it as an act of protest against this whole journal-pay-wall nonsense, buy using it as a replacement for harvard's access. Whether or not you agree with that, it gives you access to a much larger set of journals than what harvard currently pays for. Hope you all find that useful! Best, Thomas [1] http://sci-hub.io/

8 years, 2 months

[Aspuru-Guzik Group List] Group Meeting, Feb 25, 2:30 PM, Div Room

by Ian Kivlichan

Hi all, Today Sam will give group meeting today in the Div Room at 2:30. See below for the title and abstract. Best, Ian ------------------------------------- Speaker: Sam Blau Title: Atomistic Spectral Densities and Exciton Dynamics of Biliproteins Abstract: We have run 50 picosecond QM/MM nuclear dynamics trajectories for two biliproteins, PC645 and PC612. Tens of thousands of TDDFT calculations have been performed, and their collective results are examined. We have constructed spectral densities for PC645, and present dynamics investigations to better understand the importance of the spectral density fine-structure. Finally, explicit vibrations are incorporated into the description of the quantum system, and the resulting dynamics are shown.

8 years, 2 months

[Aspuru-Guzik Group List] Siria Away From Office February 25th, Returning March 2

by Siria Serrano

Team, I will be away from the office on February 25th and returning March 2nd. I'll respond to all email and matters when I return. 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>*

8 years, 2 months

[Aspuru-Guzik Group List] TODAY - ITAMP/HQOC Joint Quantum Sciences Seminar: Martin Zwierlein

by Ploucha, Clare Dolores

HQOC/ITAMP Joint Quantum Sciences Seminar Wednesday, February 24, 2016 4:00 PM, Jefferson 250 Prof. Martin Zwierlein "Strongly Interacting Fermi Gases of Atoms and Molecules" The physics of strongly interacting Fermi gases, from neutron stars and complex materials down to atomic nuclei, is often not even qualitatively understood. Ultracold Fermi gases of atoms and molecules can realize systems with strong interactions in a pristine environment, opening up a microscopic view at the scale of one interparticle spacing, and the observation of dynamic processes in real time. I will discuss three ways to induce strong interactions: In bulk Fermi gases, the use of Feshbach resonances enables the formation of fermionic superfluids with unitarity limited interactions. A novel type of box potential directly yields the equation of state of state of the homogeneous, unitary Fermi gas. Another way to induce strong interactions in Fermi gases is their confinement into optical lattices. I will describe our Fermi gas microscope, allowing for the observation of fermions at the single-atom, single-site resolved level. As a new direction I will present the creation of stable fermionic molecules at ultralow temperatures featuring strong dipole moments. We demonstrate quantum control of rotational and hyperfine states and Ramsey coherence times on the order of one second, spurring hopes for the molecules’ future use in quantum information applications and the realization of novel states of matter. Refreshments Served from 4:00-4:30 PM Guest Presentation from 4:30-6:00 PM -- Clare Ploucha Faculty Assistant to Professors Lukin & Greiner and their labs Department of Physics 17 Oxford St., Lyman 324A Cambridge, MA 02138 P. (617) 496-2544

8 years, 2 months

[Aspuru-Guzik Group List] Debenedetti talk at MIT, Wednesday Feb 24

by Sawaya, Nicolas Per Dane

Hi AAG Group, We'll be having an open discussion with Prof. Debenedetti at the theory couches at 5:40p tonight; feel free to stop by. There's one spot left for dinner (leaving Dept at 6:20) if you're interested. See below for details of his talk tomorrow. Cheers! Nicolas 02/24/16 4:00PM MIT Building 4, Room 163 Thermodynamics and Kinetics of Deeply Supercooled Water: a Computational Perspective Pablo G. Debenedetti Department of Chemical and Biological Engineering, Princeton University Water, like any other liquid, can be cooled below the equilibrium freezing temperature and still remain in the liquid state: it is then said to be supercooled. Large quantities of supercooled water exist in clouds and play an important role in ice formation, latent heat release, and in the atmosphere’s overall radiative balance. The physical properties of supercooled water have been a source of continued interest since the early ‘70s, when sharp increases in compressibility and heat capacity upon cooling were first reported. One intriguing hypothesis that has been formulated to explain this behavior is the existence of a metastable phase transition between two different liquids at deeply supercooled conditions. The preponderance of experimental evidence is consistent with this hypothesis, although no definitive proof exists to date. State-of-the-art free energy techniques provide clear evidence of a metastable transition between two distinct liquid phases in a molecular model of water. The fact that a phase transition is metastable implies that the possibility of observing it, whether in the computer or in experiments, depends on system size and on the duration of the observation. Understanding the manner in which force field details influence the existence and observability of liquid-liquid transitions is currently a subject of intense study. Although freezing is a ubiquitous phenomenon, large gaps in understanding persist regarding the detailed microscopic mechanism and the rate of ice formation at atmospherically-relevant conditions. Using state-of-the-art computational methods designed to probe rare events, we are able to study the early stages of ice nucleation at deeply supercooled conditions. We observe a competition between cubic and hexagonal ice polymorphs. Transition states are rich in the kinetically-favored cubic ice, rather than in the thermodynamically stable hexagonal ice. These examples illustrate the power of modern computational techniques rooted in statistical mechanics, as well as the considerable challenges that still lie ahead in the quest for accurate and predictive depictions of complex phenomena.

8 years, 2 months

[Aspuru-Guzik Group List] ITAMP lunch seminar - Amy Gilson, Harvard (02/25)

by Stefan Pabst

*ITAMP Topical Lunch Discussion* Date: Thursday, February 25th Time: 12:00-1:30 pm Pizza will be served. 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. *Speaker:* Amy Gilson (Harvard University) *Title: *The role of evolutionary selection on the dynamics of protein structure evolution* * *Abstract:* A wide variety of proteins exist in nature. While protein sequence evolution can be easily detected in natural sequences and produced in the laboratory, protein structure evolution is rarely observed and is difficult to engineer. Therefore, many questions regarding protein tertiary structure evolution remain unanswered. For example, how does sequence evolution translate into structure evolution? Must proteins lose thermodynamic stability during the process of evolving a new fold? In this work, we propose a simple analytical model in which evolutionary transitions among protein structures follow activated dynamics. This model is tested against Monte Carlo simulations of model protein evolution and also population genetic simulations of organisms evolving under Darwinian selection. An analogy between temperature in statistical physics and population size in evolutionary dynamics can be drawn. Indeed, these two key parameters control the transition from diffusive to activated dynamics in the respective simulations. Finally, we provide bioinformatic evidence that the strength of selection under which proteins evolve has modulated rates of protein structure evolution in nature.* * -- Stefan Pabst ITAMP Postdoc Alexander von Humboldt Fellow ITAMP, Harvard-Smithsonian Center for Astrophysics 60 Garden Street Cambridge, MA 02138, USA phone: +1-617-495-7239 fax: +1-617-496-7668 email: stefan.pabst(a)cfa.harvard.edu website: www.stefanpabst.name

8 years, 2 months

[Aspuru-Guzik Group List] Machine Learning Subgroup

by Jennifer Wei

Hi everyone, The first Machine Learning Subgroup will happen on March 28, 4-5pm, in the meeting room in Converse. We will be discussing the science and training algorithms behind the Go-playing Deep Mind developed by Google earlier this year. We'll send another reminder in a few weeks, but you can start reading/getting excited now. See you then, Ben and Jennifer

8 years, 2 months

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aspuru-list February 2016