aspuru-list February 2017

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20 participants
56 discussions

[Aspuru-Guzik Group List] Fwd: Postdoctoral position at Argonne

by Alan Aspuru-Guzik

---------- Forwarded message --------- From: Maria K Chan <mchan(a)anl.gov> Date: Sun, Feb 26, 2017 at 4:17 PM Subject: Postdoctoral position at Argonne To: Dear colleagues, Hope this email finds you well. I would greatly appreciate if you could forward the following postdoc positions announcement to those who may be interested. best, Maria Chan ----------- First principles modeling of renewable energy materials (Argonne National Laboratory) The Center for Nanoscale Materials (CNM) at Argonne National Laboratory (near Chicago, USA) has an immediate postdoctoral opening in the Theory and Modeling group. The postdoctoral researcher will work on first principles modeling of renewable energy materials including photovoltaics and energy storage materials. Emphases include interfacing first principles modeling with experimental measurements, and developing algorithms and software to improve materials property prediction. Applicants should have expertise in some of the following: • Density functional theory modeling of materials, especially in the areas of photovoltaics and/or energy storage • Development and implementation of algorithms and software for data analytics, machine learning, and materials modeling • Computational modeling and analysis of x-ray, electron microscopy, or other characterization data • High-performance computing The CNM Theory and Modeling group consists of several staff scientists and a dozen postdoctoral researchers and graduate students working closely together. Please see http://www.anl.gov/cnm/group/theory-modeling and http://www.anl.gov/cnm/person/maria-k-y-chan for more information. We are also involved in extensive collaborations with various experimental and computational groups at Argonne, the University of Chicago, Northwestern University, University of Illinois at Chicago, University of Illinois at Urbana-Champaign and elsewhere. Postdoctoral appointments are on a one-year basis, with a maximum term of three years, subject to available funding and performance evaluation. Excellent communication and analytical skills are required. Ability to work independently and in an interdisciplinary collaborative environment, especially involving experimental colleagues, is expected. Software programming experience is a plus. A PhD in computational physics, chemistry, materials science, chemical engineering, or a related field is required. *Interested candidates should apply by emailing the following to Dr. Maria Chan (mchan(a)anl.gov <mchan(a)anl.gov>):* * 1. A detailed curriculum vitae including a list of publications and the names and email addresses of three professional references.* * 2. A cover letter, including* * a. description of previous materials modeling experience (techniques, materials, key contributions);* * b. description of software development experience;* * c. expected start date; c. USA citizenship/visa/work eligibility status (if known).* * 3. One representative publication that best showcases your work.* The Center for Nanoscale Materials (nano.anl.gov) is a part of U.S. Department of Energy’s Office of Science, Nanoscale Science Research Centers program dedicated to nanoscience and nanotechnology. Argonne is also home to the Advanced Photon Source, a leading synchrotron light source in the world. Argonne National Laboratory offers excellent compensation and benefit packages, and postdoctoral researchers receive extensive career development guidance. Argonne is a U.S. Department of Energy laboratory managed by UChicago Argonne, LLC. Argonne is an equal opportunity employer, and we value diversity in our workforce. -- Maria K. Y. Chan Assistant Scientist Center for Nanoscale Materials Argonne National Laboratory 9700 S Cass Ave Argonne IL 60439, USA TEL: 630 252 4811 | http://www.anl.gov/cnm/person/maria-k-y-chan -- 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

7 years, 2 months

[Aspuru-Guzik Group List] Fwd: OPO Ising machine talk

by Alan Aspuru-Guzik

---------- Forwarded message --------- From: Peter McMahon <pmcmahon(a)stanford.edu> Date: Fri, Feb 24, 2017 at 2:59 PM Subject: OPO Ising machine talk To: Alan Aspuru-Guzik <alan(a)aspuru.com>, Libor Veis < libor.veis(a)jh-inst.cas.cz>, Neil Philip <philip(a)college.harvard.edu>, Ian Kivlichan <ian.kivlichan(a)gmail.com> Hi Alan, Libor, Neil, Ian, I will be giving a talk about the OPO Ising machine at MIT EECS on Monday (27 February) at 3 pm. You have all basically already seen this material from me before, but if you would like to see it again (perhaps presented in a slightly different way), please feel free to come. Here is the announcement: https://www.eecs.mit.edu/news-events/calendar/events/eecs-special-seminar-p… Best, Peter -- 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

7 years, 2 months

[Aspuru-Guzik Group List] Reminder: Professor Marivi Fernandez-Serra Visit Friday, February 24th

by Siria Serrano

Dear Group Members, This is a reminder that on Friday we are hosting Professor Marivi Fernandez-Serra from Stony Brook University. *We encourage everyone to attend her talk at 4*, the information and abstract are below and a flyer is attached. APPLIED PHYSICS COLLOQUIUM 4:00 P.M., Friday February 24th in Pierce 209 Stony Brook University Physics Department Understanding water/solid functional interfaces for photocatalysis and electrochemical applications Marivi Fernandez-Serra In this talk I will review our current efforts on understanding the physics of liquid water and the interaction of water with functional semiconductor and metallic surfaces using ab initio molecular dynamics methods. I will present the state of the art of current simulations and the challenges we face, focusing on two specific problems: the description of aqueous solvated electrode surfaces and the simulation of polar surfaces in aqueous environments. In particular I will show how the physics of ferroelectric and dielectric superlattices is strongly related to the physics that describes the behavior of water at polar interfaces. Host: Alan Aspuru-Guzik -- *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] Computational Calisthenics for A-G Group

by adorsk＠g.harvard.edu

I've invited you to fill out the following form: Computational Calisthenics for A-G Group

7 years, 2 months

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

by Aram Harrow

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

7 years, 2 months

[Aspuru-Guzik Group List] [Important and Time Sensitive] Volunteer Wanted: Chaperone for Professor Marivi Tomorrow

by Siria Serrano

Y'all, I need help getting Marivi to her appointments tomorrow because many happen to be in SEAS building and I just sprained my foot this morning. Her schedule is below. She will meet Alan here and then I need someone to take her to have coffee upstairs and show her around the lab 11-11:30 and then take her to Cruft 403. I need the person to take her to Lyman 329 at 2 PM and bring her to meet Ted at 2:30 PM. Please let me know if you can do this by 4 PM today since I leave at that time. We will pay for your lunch in return. Thanking you all, Siria /// Friday, February 24th 10-11: Alan Aspuru-Guzik, Mallinckrodt 138 12 Oxford Street, Mallinckrodt Building Suite 136-140 Cambridge, MA 02138 http://aspuru.chem.harvard.edu/aspuru-guzik-group-administrative-office/ 11-11:30: Coffee and AAG Lab Tour 11:30-Noon: Kaxiras Group Members, Cruft 403 Noon-1:30: Lunch with Post Docs and Students from the Aspuru-Guzik and Kaxiras Groups 1:30-2: Xin Li, Pierce 210 2-2:30: Vinothan Manoharan, Lyman 329 2:30-3: Ted Betley, Mallinckrodt 306 3-3:30: Frans Spaepen, Pierce 207 3:30-4: Prepare for Talk, Pierce 209 4-5: Talk, Pierce 209 5:30-7: Dinner with Alan Aspuru-Guzik -- *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] Group meeting, Thu Feb 23, 3:30 PM, Div Room

by Ian Kivlichan

Hi all, Tomorrow Pri will talk at group meeting . This is a practice job talk, so please come prepared! See below for the title and abstract. All the best, Ian ----------------- Title: "The future of Integrated Devices with Excited States"

7 years, 2 months

[Aspuru-Guzik Group List] group picture Thursday at group meeting

by Joey Goodknight

Hello Everyone, Alan has requested a group picture, so let's get a new one with all our new scientists! Please* let me know if you won't be at group meeting this week* and perhaps we can reschedule it. We may do it at the beginning or end depending on how the timing works out, so just be sure to be there on time and looking good for posterity! -Joey

7 years, 2 months

Re: [Aspuru-Guzik Group List] Fwd: Meeting request: Prof. David Mitzi, Thur. Feb. 23

by Deniz Bozyigit

Dear Raf, Dear Gina, I'd be very interested in meeting Prof. Mitzi, either 2:15 or 3pm would work for me. I'm a postdoc in V. Bulovic's group and I'm part of the gridedge solar cell effort. Let me know if this works out! Best, Deniz On Feb 22, 2017 9:31 PM, Rafael Jaramillo <rjaramil(a)mit.edu> wrote: Dear Colleagues, Tomorrow (Thursday) I have the pleasure of hosting Prof. David Mitzi from Duke University (formerly IBM), who will give a CMSE seminar. There have been two late cancellations, so he now has available meeting slots at 2:15 and 3p. If anyone would like to meet with Prof. Mitzi, please reply to Gina Granzetta (cc'd here). I hope to see you at his seminar! Best, Raf -------- Forwarded Message -------- Subject: Meeting request: Prof. David Mitzi, Thur. Feb. 23 Date: Fri, 17 Feb 2017 13:41:57 -0500 From: Gina Franzetta <gfranzet(a)mit.edu><mailto:gfranzet@mit.edu> To: dmse-faculty <dmse-faculty(a)mit.edu><mailto:dmse-faculty@mit.edu>, dmse-postdocs <dmse-postdocs(a)mit.edu><mailto:dmse-postdocs@mit.edu> Good afternoon, For those of you who are not already scheduled to meet with visiting speaker, Prof. David Mitzi from Duke University, next Thursday, there are still two spaces available to meet with him. At your earliest convenience, please share with me which of the following times you wish to be scheduled with him: Thursday, February 23: 11:15 or 2:15? Please find information on his talk below. Thank you, Gina Prof. David Mitzi Thursday, February 23 @4 PM Chipman room, 6-104 "Search for High-Performance Earth-Abundant Thin-Film Photovoltaic Materials" Thin-film photovoltaic (PV) devices offer the prospect of lower-cost manufacturing coupled with high power conversion efficiency, thereby providing a pathway to cost-competitive solar energy. Currently, the fastest growing commercial thin-film PV technologies rely on direct bandgap chalcogenide semiconductors CdTe and Cu(In,Ga)(S,Se)2 (CIGS), with cumulatively >15GW of capacity manufactured. In order to overcome prospective scalability issues related to elemental scarcity (Te, In) and/or heavy-metal toxicity (Cd) with these systems, this talk will present recent progress on alternative predominantly chalcogenide-based systems, including zinc-blende-related Cu2ZnSn(S,Se)4 (CZTSSe), with abundant Zn/Sn replacing In/Ga, and more recent candidates, Cu2(Ba,Sr)Sn(S,Se)4 and the perovskite (Ba,Sr)Zr(S,Se)3. If desirable electronic structure tunability associated with the multi-element stoichiometry (e.g., bandgap control using S:Se ratio) can be combined with control over disorder and defect formation in these complex systems, multinary chalcogenide semiconductors will offer a bright path forward in the quest for high-performance, low-cost and scalable PV technologies.

7 years, 2 months

[Aspuru-Guzik Group List] Fwd: Meeting request: Prof. David Mitzi, Thur. Feb. 23

by Rafael Jaramillo

Dear Colleagues, Tomorrow (Thursday) I have the pleasure of hosting Prof. David Mitzi from Duke University (formerly IBM), who will give a CMSE seminar. There have been two late cancellations, so he now has available meeting slots at 2:15 and 3p. If anyone would like to meet with Prof. Mitzi, please reply to Gina Granzetta (cc'd here). I hope to see you at his seminar! Best, Raf -------- Forwarded Message -------- Subject: Meeting request: Prof. David Mitzi, Thur. Feb. 23 Date: Fri, 17 Feb 2017 13:41:57 -0500 From: Gina Franzetta <gfranzet(a)mit.edu> To: dmse-faculty <dmse-faculty(a)mit.edu>, dmse-postdocs <dmse-postdocs(a)mit.edu> Good afternoon, For those of you who are not already scheduled to meet with visiting speaker, Prof. David Mitzi from Duke University, next Thursday, there are still two spaces available to meet with him. At your earliest convenience, please share with me which of the following times you wish to be scheduled with him: *Thursday, February 23: 11:15 or 2:15*? Please find information on his talk below. Thank you, Gina *Prof. David Mitzi* *Thursday, February 23 @4 PM* *Chipman room, 6-104* *"Search for High-Performance Earth-Abundant Thin-Film Photovoltaic Materials"* Thin-film photovoltaic (PV) devices offer the prospect of lower-cost manufacturing coupled with high power conversion efficiency, thereby providing a pathway to cost-competitive solar energy. Currently, the fastest growing commercial thin-film PV technologies rely on direct bandgap chalcogenide semiconductors CdTe and Cu(In,Ga)(S,Se)_2 (CIGS), with cumulatively >15GW of capacity manufactured. In order to overcome prospective scalability issues related to elemental scarcity (Te, In) and/or heavy-metal toxicity (Cd) with these systems, this talk will present recent progress on alternative predominantly chalcogenide-based systems, including zinc-blende-related Cu_2 ZnSn(S,Se)_4 (CZTSSe), with abundant Zn/Sn replacing In/Ga, and more recent candidates, Cu_2 (Ba,Sr)Sn(S,Se)_4 and the perovskite (Ba,Sr)Zr(S,Se)_3 . If desirable electronic structure tunability associated with the multi-element stoichiometry (e.g., bandgap control using S:Se ratio) can be combined with control over disorder and defect formation in these complex systems, multinary chalcogenide semiconductors will offer a bright path forward in the quest for high-performance, low-cost and scalable PV technologies.

7 years, 2 months

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aspuru-list February 2017