From owner-chemistry@ccl.net Fri Oct 5 09:42:00 2018 From: "Morgane Vacher morgane.vacher*o*gmail.com" To: CCL Subject: CCL: =?utf-8?Q?L=C3=B6wdin_lectures_and_symposium_-_November_16_at_Upp?= =?utf-8?Q?sala?= Message-Id: <-53499-181005033939-31721-NBXmI5dUVa1zSa+Lj6usVQ!^!server.ccl.net> X-Original-From: Morgane Vacher Content-Type: multipart/alternative; boundary="Apple-Mail=_D582A341-2827-4AE0-BB34-1DCBD25D417A" Date: Fri, 5 Oct 2018 09:39:30 +0200 Mime-Version: 1.0 (Mac OS X Mail 11.5 \(3445.9.1\)) Sent to CCL by: Morgane Vacher [morgane.vacher * gmail.com] --Apple-Mail=_D582A341-2827-4AE0-BB34-1DCBD25D417A Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=utf-8 Dear colleagues,=20 To honor Per-Olof L=C3=B6wdin, Uppsala University invites every other = year prominent scientists to present their research and stimulate = interest in quantum chemistry. This year, it is our pleasure to invite = Prof Sharon Hammes-Schiffer and Prof Markus Reiher as the 2017 and 2018 = L=C3=B6wdin lecturers, respectively. We take this opportunity to = organise a (free of charge) symposium on November, 16 2018 around the = theme of quantum chemistry and machine learning. More information can be = found here: = https://www.kemi.uu.se/research/theoretical-chemistry/the-lowdin-lectures/= = or below. You are more than welcome to come and attend! Best wishes, Morgane Vacher and Roland Lindh =E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2= =80=94=E2=80=94 The L=C3=B6wdin Lectures 2018, with Prof. Sharon Hammes-Schiffer and = Prof. Markus Reiher The Committee for Quantum Chemical L=C3=B6wdin Lectures was established = in 1982 to administrate a fund generated by international contributions = to honor Per-Olof L=C3=B6wdin (1916-2000) in association with his = retirement at Uppsala University in 1981. The fund was transferred to = Uppsala University at the 4th International Quantum Chemistry Congress, = Uppsala, 1982. The purpose of the L=C3=B6wdin lectures is to stimulate = the interest in quantum chemistry by inviting prominent scientists to = Uppsala to present their research and to give a general lecture on = chemistry. Prof. Sharon Hammes-Schiffer Sharon Hammes-Schiffer received her B.A. in Chemistry from Princeton = University in 1988 and her Ph.D. in Chemistry from Stanford University = in 1993, followed by two years at AT&T Bell Laboratories. She was the = Clare Boothe Luce Assistant Professor at the University of Notre Dame = > from 1995-2000 and then became the Eberly Professor of Biotechnology at = The Pennsylvania State University until 2012, when she became the = Swanlund Professor of Chemistry at the University of Illinois = Urbana-Champaign. Since 2018, she has been the John Gamble Kirkwood = Professor of Chemistry at Yale University. She is a Fellow of the = American Physical Society, American Chemical Society, American = Association for the Advancement of Science, and Biophysical Society. She = is a member of the American Academy of Arts and Sciences, the U.S. = National Academy of Sciences, the International Academy of Quantum = Molecular Science, and the Basic Energy Sciences Advisory Committee. = She was the Deputy Editor of The Journal of Physical Chemistry B and is = currently the Editor-in-Chief of Chemical Reviews. She is on the Board = of Reviewing Editors for Science and has served as Chair of the Physical = Division and the Theoretical Subdivision of the American Chemical = Society. She has over 235 publications, is co-author of a textbook = entitled Physical Chemistry for the Biological Sciences, and has given = more than 360 invited lectures. Prof. Markus Reiher=20 Markus Reiher was born in Paderborn (Westphalia) in 1971. He received = his diploma in chemistry from the University of Bielefeld in 1995 and a = PhD in theoretical chemistry from the same University with Professor = Juergen Hinze in 1998. After habilitation in theoretical chemistry at = the University of Erlangen with Professor Bernd Artur Hess in 2002 = ('venia legendi' in summer 2003) he worked as a Privatdozent, first in = Erlangen and then at the University of Bonn. During this time he served = as the representative of the vacant chairs of theoretical chemistry in = Erlangen (2003/2004) and then in Bonn (2004/2005).=46rom April 2005 to = January 2006 he was Professor for Physical Chemistry at the University = of Jena and since February 2006 he has been professor for theoretical = chemistry at ETH Zurich. His work is documented in more than 300 = publications, among which he published a monograph on relativistic = quantum chemistry. He was invited to deliver more than 200 lectures. In = recognition of his efforts in research and teaching he received the Emmy = Noether Habilitation Prize 2003, the ADUC award 2004, the = Dozentenstipendium of the Fonds der Chemischen Industrie 2005, the OYGA = award 2010 of the Lise-Meitner-Minerva Center for Computational = Chemistry in Jerusalem, and the Golden Owl best teaching award of the = chemistry students of ETH Zurich in 2010. His research covers all fields = of theoretical chemistry from its fundamental basis to challenging = electronic structure and vibrational dynamics problems to advanced = kinetic modeling and the study of chemical function encoded in complex = networks and catalysis. =E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2= =80=94=E2=80=94 Schedule for The L=C3=B6wdin Lectures 2018 Friday, November 16th, in room 4101 at the =C3=85ngstr=C3=B6m = Laboratory. 09:00 - Opening & Introduction Roland Lindh and Morgane Vacher Department of Chemistry-=C3=85ngstr=C3=B6m, Uppsala University, Sweden 09:15 - Exhaustive Exploration of Complex Reaction Networks Markus Reiher Laboratory of Physical Chemistry, ETH Z=C3=BCrich, Z=C3=BCrich, = Switzerland 10:00 - Break 10:30 - Accelerating inorganic discovery with machine learning Heather Kulik Department of Chemical Engineering, Massachusetts Institute of = Technology, Cambridge, Massachusetts, United States 11:00 - Quantum machine learning Anatole von Lilienfeld Department of Chemistry, University of Basel, Basel, Switzerland 11:30 - Integrating first principles modeling and experimental = characterization via machine learning Maria K. Y. Chan Argonne National Laboratory, Argonne, Illinois, United States 12:00 - Lunch break 13:30 - Neural networks learning quantum chemistry Olexandr Isayev University of North Carolina, Chapel Hill, North Carolina, United States 14:00 - Machine learning with deep feature graphs leads to interpretable = models that predict reaction performance Lucy Colwell Department of Chemistry, University of Cambridge, Cambridge, United = Kingdom 14:30 - Machine learning algorithms for designing metamaterials Koji Tsuda Graduate School of Frontier Sciences, University of Tokyo, Kashiwa, = Japan 15:00 - Break 15:30 - Machine learning for quantum chemistry Matthias Rupp Fritz Haber Institute of the Max Planck Society, Berlin, Germany 16:00 - Multicomponent quantum chemistry: Integrating electronic and = nuclear quantum effects Sharon Hammes-Schiffer Department of Chemistry, Yale University, New Haven, Connecticut, United = States 16:45 - Summary & Closing remarks Roland Lindh and Morgane Vacher= --Apple-Mail=_D582A341-2827-4AE0-BB34-1DCBD25D417A Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=utf-8 Dear = colleagues, 

To honor Per-Olof = L=C3=B6wdin, Uppsala University invites every other year prominent = scientists to present their research and stimulate interest in = quantum chemistry. This year, it is our pleasure to invite Prof = Sharon Hammes-Schiffer and Prof Markus Reiher as the 2017 and 2018 = L=C3=B6wdin lecturers, respectively. We take this opportunity to = organise a (free of charge) symposium on November, 16 2018 around the = theme of quantum chemistry and machine learning. More information = can be found here: https://www.kemi.uu.se/research/theoretical-chemistry/the-lowdi= n-lectures/ or below.
You are more than welcome = to come and attend!

Best = wishes,
Morgane Vacher and Roland Lindh

=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2= =80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94

The L=C3=B6wdin Lectures 2018, with Prof. = Sharon Hammes-Schiffer and Prof. Markus Reiher

The Committee for Quantum Chemical L=C3=B6wdin Lectures was = established in 1982 to administrate a fund generated by international = contributions to honor Per-Olof L=C3=B6wdin (1916-2000) in association = with his retirement at Uppsala University in 1981. The fund was = transferred to Uppsala University at the 4th International Quantum = Chemistry Congress, Uppsala, 1982. The purpose of the L=C3=B6wdin = lectures is to stimulate the interest in quantum chemistry by = inviting prominent scientists to Uppsala to present their research and = to give a general lecture on chemistry.

Prof. Sharon Hammes-Schiffer
Sharon Hammes-Schiffer received her B.A. in Chemistry from = Princeton University in 1988 and her Ph.D. in Chemistry from Stanford = University in 1993, followed by two years at AT&T Bell = Laboratories. She was the Clare Boothe Luce Assistant Professor at = the University of Notre Dame from 1995-2000 and then became the Eberly = Professor of Biotechnology at The Pennsylvania State University = until 2012, when she became the Swanlund Professor of Chemistry at the = University of Illinois Urbana-Champaign. Since 2018, she has been = the John Gamble Kirkwood Professor of Chemistry at Yale University. =  She is a Fellow of the American Physical Society, = American Chemical Society, American Association for the Advancement = of Science, and Biophysical Society. She is a member of the = American Academy of Arts and Sciences, the U.S. National Academy of = Sciences, the International Academy of Quantum Molecular Science, = and the Basic Energy Sciences Advisory Committee.  She was the = Deputy Editor of The Journal of Physical Chemistry B and is currently = the Editor-in-Chief of Chemical Reviews. She is on the Board of = Reviewing Editors for Science and has served as Chair of the Physical = Division and the Theoretical Subdivision of the American Chemical = Society. She has over 235 publications, is co-author of a textbook = entitled Physical Chemistry for the Biological Sciences, and has given = more than 360 invited lectures.

Prof. Markus Reiher 
Markus Reiher was born in Paderborn (Westphalia) in 1971. He = received his diploma in chemistry from the University of Bielefeld in = 1995 and a PhD in theoretical chemistry from the same University = with Professor Juergen Hinze in 1998. After habilitation in theoretical = chemistry at the University of Erlangen with Professor Bernd Artur = Hess in 2002 ('venia legendi' in summer 2003) he worked as a = Privatdozent, first in Erlangen and then at the University of = Bonn. During this time he served as the representative of the = vacant chairs of theoretical chemistry in Erlangen (2003/2004) and then = in Bonn (2004/2005).=46rom April 2005 to January 2006 he was Professor = for Physical Chemistry at the University of Jena and since February 2006 = he has been professor for theoretical chemistry at ETH Zurich. His = work is documented in more than 300 publications, among which he = published a monograph on relativistic quantum chemistry. He was = invited to deliver more than 200 lectures. In recognition of his efforts = in research and teaching he received the Emmy Noether = Habilitation Prize 2003, the ADUC award 2004, the = Dozentenstipendium of the Fonds der Chemischen Industrie 2005, the OYGA = award 2010 of the Lise-Meitner-Minerva Center for Computational = Chemistry in Jerusalem, and the Golden Owl best teaching award of the = chemistry students of ETH Zurich in 2010. His research covers all = fields of theoretical chemistry from its fundamental basis to = challenging electronic structure and vibrational dynamics problems = to advanced kinetic modeling and the study of chemical function = encoded in complex networks and catalysis.

=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94= =E2=80=94=E2=80=94=E2=80=94

Schedule for The L=C3=B6wdin Lectures 2018

Friday, November 16th, in room = 4101 at the =C3=85ngstr=C3=B6m Laboratory.

09:00 - Opening & Introduction
Roland Lindh and Morgane = Vacher
Department of Chemistry-=C3=85ngstr=C3=B6m, = Uppsala University, Sweden

09:15 = - Exhaustive Exploration of Complex Reaction Networks
Markus Reiher
Laboratory of Physical Chemistry, ETH Z=C3=BCrich, Z=C3=BCrich,= Switzerland

10:00 - Break

10:30 - Accelerating inorganic discovery = with machine learning
Heather Kulik
Department of Chemical = Engineering, Massachusetts Institute of Technology, Cambridge, = Massachusetts, United States

11:00 = - Quantum machine learning
Anatole von Lilienfeld
Department of = Chemistry, University of Basel, Basel, Switzerland

11:30 - Integrating first principles modeling and = experimental characterization via machine learning
Maria K. Y. Chan
Argonne= National Laboratory, Argonne, Illinois, United States

12:00 - Lunch break

13:30 = - Neural networks learning quantum chemistry
Olexandr Isayev
University of North Carolina, Chapel Hill, North Carolina, = United States

14:00 - Machine = learning with deep feature graphs leads to interpretable models that = predict reaction performance
Lucy Colwell
Department of Chemistry, = University of Cambridge, Cambridge, United Kingdom

14:30 - Machine learning algorithms for designing = metamaterials
Koji = Tsuda
Graduate School of Frontier Sciences, = University of Tokyo, Kashiwa, Japan

15:00 = - Break

15:30 - Machine = learning for quantum chemistry
Matthias Rupp
Fritz Haber Institute of = the Max Planck Society, Berlin, Germany

16:00= - Multicomponent quantum chemistry: Integrating electronic and = nuclear quantum effects
Sharon Hammes-Schiffer
Department of = Chemistry, Yale University, New Haven, Connecticut, United States

16:45 - Summary & Closing = remarks
Roland = Lindh and Morgane = Vacher
= --Apple-Mail=_D582A341-2827-4AE0-BB34-1DCBD25D417A--