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POCKET PROGRAM
27 August – 1 September 2017 Munich, Germany
WATOC 201711th Triennial Congress of the World Association of Theoretical and Computational Chemists
2O17
www.watoc2017.com
Sponsors & ExhibitorsWe thank all of our sponsors and exhibitors for their support.
Platinum Sponsors
Silver Sponsor Bronze Sponsor
Sponsors & Exhibitors
Program – Sunday, 27 August 2017
Time Philharmonic Hall
15:00– 15:50
Opening Ceremony
15:50– 17:10
Plenary Session ATodd Martinez
Benedetta Mennucci
17:10– 17:40
Coffee Break
17:40– 19:00
Plenary Session B Trygve HelgakerHelmut Schwarz
Time Foyer
12:00– 15:00
Registration
Time Foyer
19:00– 22:00
Welcome Reception – supported by BASF
Program – Monday, 28 August 2017
TimePhilharmonic
HallCarl-Orff Hall Black Box
09:00– 09:40
Plenary Session CEdward Valeev
09:40– 10:10
Coffee Break
10:10– 12:15
Invited Session 1 Peter Gill
Garnet ChanJürgen Gauss
Poul JørgensenMartin Head-Gordon
Invited Session 2Peter Schwerdtfeger
Kwang Soo Kim Jean-Luc Bredas Marco Bernardi
Jochen Blumberger
Invited Session 3Lucas VisscherNeepa Maitra
Sharon Hammes-SchifferEberhard Gross
Katarzyna Pernal12:15– 13:45
Lunch Break
13:45– 15:50
Invited Session 7Jeremy Harvey
Peter Richard SchreinerLeo Radom
Yitzhak ApeloigKendall Houk
Invited Session 8Gustavo Scuseria
Hans-Joachim WernerÖrs Legeza
Jeppe OlsenJohn Stanton
Invited Session 9Weitao YangPeter Pulay
Henry F. SchaeferDage Sundholm
Petr Carsky15:50– 16:20
Coffee Break
16:20– 18:20
Contributed Session 1Georg Schreckenbach
Lorenzo MaschioMarek Sierka
Joao B. L. MartinsWolfgang Hieringer
Ralf TonnerAntti KarttunenJon M. Matxain
Contributed Session 2Thomas KühneTristan Bereau
Ragnar BjornssonAlister PageOlaf Wiest
Dmitry NerukhLaurence Leherte
Xabier Lopez
Contributed Session 3Shirin FarajiOliver Kühn
Debashree GhoshDaniel Roca-Sanjuán
Bo DurbeejLászló Turi
Luca De VicoValérie Brenner
18:20– 20:00
Dinner Break
20:00– 22:00
Foyer
Poster Session 1 – supported by ACS Energy Letters
Program – Monday, 28 August 2017
Small Concert Hall
Carl-Amery HallMultipurpose
RoomTime
09:00– 09:40
Coffee Break09:40– 10:10
Invited Session 4Kenneth RuudPekka PyykköWenjian LiuTrond Saue
Marcel Swart
Invited Session 5Hiromi NakaiNuria LopezTore Brinck
Stuart MacgregorMichelle Coote
Invited Session 6Odile EisensteinMichael BuehlGustavo AucarIbon Alkorta
Sotiris Xantheas
10:10– 12:15
Lunch Break12:15– 13:45
Invited Session 10Kurt Kremer
Florian Müller-PlatheChristoph Dellago
Christine PeterAlexander Nemukhin
Invited Session 11David Clary
Irene BurghardtRoland Mitric
Ivano TavernelliGraham Worth
Invited Session 12Benjamin Fingerhut
Christel MarianIlaria Ciofini
Satoshi MaedaHenrik Koch
13:45– 15:50
Coffee Break15:50– 16:20
Contributed Session 4Manabu SugimotoTetsuya Taketsugu
Mark WallerSeiji Mori
Woo Youn KimAnoop AyyappanWolfgang Quapp
Michael Springborg
Contributed Session 5Andreas Hauser
Raul Alvarez-IdaboyAlbeiro Restrepo
Alessandro ContiniPrzemyslaw Dopieralski
Joonkyung JangPetra Imhof
Wieslaw Nowak
Contributed Session 6Mercedes AlonsoDaniel Aravena
Alexandre MagalhãesMichal StrakaMatthias LeinJuan F. Espinal
Oscar Lung Wa ChungAmalia I. Poblador Bahamonde
16:20– 18:20
Dinner Break18:20– 20:00
Foyer 20:00– 22:00Poster Session 1 – supported by ACS Energy Letters
Program – Tuesday, 29 August 2017
TimePhilharmonic
HallCarl-Orff Hall Black Box
09:00– 09:40
Plenary Session DGiulia Galli
09:40– 10:10
Coffee Break
10:10– 12:15
Invited Session 13Walter Thiel
Stefan GrimmeFrank Jensen
Siewert-Jan MarrinkJan H. Jensen
Invited Session 14Ali Alavi
Seiichiro Ten-noRoi Baer
David TannorMark Gordon
Invited Session 15Leticia González
Roland LindhChantal DanielGeorge Schatz
Joseph Subotnik12:15– 13:45
Lunch Break
13:45– 15:50
Invited Session 19Teresa Head-Gordon
Jiali GaoModesto Orozco
Shina Caroline Lynn KamerlinHelmut Grubmüller
Invited Session 20Don Truhlar
Carlo AdamoKieron Burke
G. Narahari SastryDavid Sherrill
Industry Session 1Peter Deglmann
Christoph TaeschlerMichael Edmund Beck
Marcel VerdonkThomas Fox
15:50– 16:20
Coffee Break
16:20– 18:20
Contributed Session 7Mario Piris
Heather KulikPierre-Francois Loos
Henk EshuisJiri Klimes
Eduard MatitoJan Rezác
Ekaterina Pas
Contributed Session 8Andrey RogachevCarsten Baldauf
Brian YatesHélène Bolvin
Masato KobayashiLubomír RulíšekZahra Jamshidi
Jean Christophe Tremblay
Industry Session 2Glenn JonesHanne FalsigMartin Letz
Matthias BremerThomas Eckl
18:20– 20:00
Dinner Break
20:00– 22:00
Foyer
Poster Session 2 – supported by The Journal of Physical Chemistry
Program – Tuesday, 29 August 2017
Small Concert Hall
Carl-Amery HallMultipurpose
RoomTime
09:00– 09:40
Coffee Break09:40– 10:10
Invited Session 16Joel BowmanRobert Berger
R. Benny GerberLorenz S. Cederbaum
Sergey Yurchenko
Invited Session 17Fernando MartinShaul Mukamel
H. Bernhard SchlegelPeter SaalfrankPeter Knowles
Invited Session 18Zexing CaoTim Clark
Markus MeuwlySereina Riniker
Xuhui Huang
10:10– 12:15
Lunch Break12:15– 13:45
Invited Session 21Michele Parrinello
Ulf RydeZhipan Liu
GuanHua ChenMichele Pavanello
Invited Session 22Elfi Kraka
Gabriel MerinoRaghavan B. Sunoj
Gopalan RajaramanLaura Gagliardi
Invited Session 23Takeshi YanaiClaudia DraxlBeate Paulus
Krzysztof SzalewiczWanZhen Liang
13:45– 15:50
Coffee Break15:50– 16:20
Contributed Session 9Masayoshi NakanoCarmen Herrmann
Takatoshi FujitaPaula Homem-de-Mello
Tangui Le BahersBasile F. E. Curchod
William GloverMatthias Stein
Contributed Session 10Mercè Deumal
Nathalie GuiheryAnnika BandeMartin Rahm
Ian MackinnonFernando Ruipérez
Toyokazu IshidaEliseo Ruiz
Contributed Session 11Ferran FeixasSnezana Zaric
Vladimir PalyulinJosé Pedro Cerón-Carrasco
Niels HansenJanos DaruAllan EastOle Swang
16:20– 18:20
Dinner Break18:20– 20:00
Foyer 20:00– 22:00Poster Session 2 – supported by The Journal of Physical Chemistry
Program – Wednesday, 30 August 2017
TimePhilharmonic
HallCarl-Orff Hall Black Box
09:00– 09:40
Plenary Session EPavel Hobza
09:40– 10:10
Coffee Break
10:10– 12:15
Invited Session 24Alan Aspuru-Guzik
Michele CeriottiMarkus Reiher
Matthias SchefflerGregory Voth
Invited Session 25Sason Shaik
Clemence CorminboeufJulia Rice
Matthias BickelhauptWilliam Hase
Invited Session 26Karsten ReuterFabrizia Negri
Mariachiara PastoreBiswarup Pathak
Zhigang Shuai12:15– 13:00
Lunch Break
13:00– 20:00
Excursions
20:00– 22:00
Löwenbräukeller (Address: Nymphenburger Str. 2)
Congress Dinner
Program – Wednesday, 30 August 2017
Small Concert Hall
Carl-Amery HallMultipurpose
RoomTime
09:00– 09:40
Coffee Break09:40– 10:10
Invited Session 27David Tozer
Hannes JonssonJulien ToulouseErin R. Johnson
Matthias Ernzerhof
Invited Session 28Marcus Elstner
Elena Laura Coitiño IzaguirreMatthias Heyden
Ville KailaHolger Gohlke
Invited Session 29Bogumil Jeziorski
Manuel YanezJohannes Kästner
Eluvathingal D. JemmisPéter G. Szalay
10:10– 12:15
Lunch Break12:15– 13:00
Excursions13:00– 20:00
Löwenbräukeller (Address: Nymphenburger Str. 2) 20:00– 22:00Congress Dinner
Program – Thursday, 31 August 2017
TimePhilharmonic
HallCarl-Orff Hall Black Box
09:00– 09:40
Plenary Session FHiroshi Nakatsuji
09:40– 10:10
Coffee Break
10:10– 12:15
Invited Session 30Filipp FurcheAxel BeckeEunji Sim
Andreas GörlingPaul Ayers
Invited Session 31Josef Michl
Gernot FrenkingMarco Nascimento
Julia Contreras-GarcíaRussell J. Boyd
Invited Session 32Chiara CappelliJacob Kongsted
Lyudmila SlipchenkoFred Manby
Kurt V. Mikkelsen12:15– 13:45
Lunch Break
13:45– 15:50
Invited Session 36Richard Henchman
Johan AqvistQiang Cui
Pavel JungwirthGerhard Hummer
Invited Session 37Marcel Nooijen
Georg KresseSilke Biermann
Volker BlumGregory Beran
Invited Session 38So Hirata
Dominika ZgidDenis Jacquemin
Lucia ReiningWim Klopper
15:50– 16:20
Coffee Break
16:20– 18:20
Contributed Session 12Jan M.L. Martin
Ricardo MataPeter Nagy
Graham FletcherJean-Philip Piquemal
Joonsuk HuhLuca Frediani
Sebastian Höfener
Contributed Session 13Nick Mayhall
Remco HavenithAndrzej L SobolewskiThomas Koerzdoerfer
Emanuele CocciaRobert Góra
Isabelle NavizetStefan Knippenberg
Contributed Session 14Stella Stopkowicz
Sandra LuberMalgorzata Biczysko
Takeshi IwasaFranco Egidi
Sergei IvanovStepan Sklenak
Alfonso Hernandez-Laguna18:20– 20:00
Dinner Break
20:00– 22:00
Foyer
Poster Session 3 – supported by ACS Publications
Program – Thursday, 31 August 2017
Small Concert Hall
Carl-Amery HallMultipurpose
RoomTime
09:00– 09:40
Coffee Break09:40– 10:10
Invited Session 33Anna KrylovXiaosong Li
Andreas DreuwSpiridoula Matsika
John Herbert
Invited Session 34Rodney J. Bartlett
Andreas KöhnShuhua LiJiri Pittner
Ove Christiansen
Invited Session 35Pedro Fernandes
Yiqin GaoYoung Min Rhee
Carmay LimDavid Smith
10:10– 12:15
Lunch Break12:15– 13:45
Invited Session 39Toru Shiozaki
David TewYuki Kurashige
Hans Jørgen Aagaard JensenPiotr Piecuch
Invited Session 40Patrick NormanDaniel Crawford
Benoît ChampagneSonia CorianiAntonio Rizzo
Invited Session 41Igor Alabugin
Miroslav UrbanAttila CsaszarAnnia Galano
Munir Skaf
13:45– 15:50
Coffee Break15:50– 16:20
Contributed Session 15Martin KauppLars Goerigk
Sergei VyboishchikovArindam Chakraborty
István MayerFan Wang
Mikael P. JohanssonRan Friedman
Contributed Session 16Mark Iron
Sílvia SimonUlrike Salzner
Hong-Xing ZhangMartial Boggio-Pasqua
Aurélie PerrierDavid Henry
Thibaud Étienne
Contributed Session 17José Enrique Barquera-Lozada
Fabio PichierriAndrás Stirling
Leonardo BelpassiApostolos Kalemos
David WilsonIgnacy Cukrowski
Hugo Gattuso
16:20– 18:20
Dinner Break18:20– 20:00
Foyer 20:00– 22:00Poster Session 3 – supported by ACS Publications
Program – Friday, 1 September 2017
Time Philharmonic Hall
09:00– 10:20
Plenary Session GFrancesco EvangelistaJohannes Neugebauer
10:20– 10:50
Coffee Break
10:50– 12:10
Plenary Session HUrsula Roethlisberger
Frank Neese12:10– 12:50
Closing Ceremony and Poster Awards
Overview – Ground FloorG
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Overview – First FloorFi
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Overview – Second Floor
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Restaurant SuggestionsWe recommend that you call the restaurants to make a reservation.Also, at the Gasteig conference center, there will be food stations where you can purchase a small lunch or snack.
gastRosenheimer Str. 5, 81667 MunichOpen daily: 11:00 - 01:00Phone: +49 (0)89 48 09 82 720Distance: 1 min by footItalian and Asian cuisine
Rosi Kaffeehaus & BarRosenheimer Str. 2, 81669 MunichOpen daily: 08:00 - 01:00Phone: +49 (0)89 44 99 97 39Distance: 2 min by footModern café
KuchlverzeichnisRosenheimer Str. 10, 81669 MunichOpen daily: 17:30 - 01:00Phone: +49 (0)89 48 17 49Distance: 3 min by footTraditional Bavarian food
Kam YiRosenheimer Str. 32, 81669 MunichOpen daily: 11:30 - 23:30Phone: + 49 (0)89 44 81 366Distance: 4 min by footChinese restaurant
Chez FritzPreysingstr. 20, 81667 MunichOpen daily (except Mondays): 17:30 - 01:00Phone: +49 (0)89 44 87 676Distance: 5 min by footFrench brasserie
Restaurant SuggestionsLollo Rosso Bar(varian) GrillMilchstr. 1, 81667 MunichOpen daily: 17:00 - 01:00Phone: +49 (0)89 88 56 81 31Distance: 5 min by footBavarian restaurant
L’OsteriaInnere Wiener Str. 2, 81667 MunichOpen daily: 11:00 - 00:00Phone: +49 (0)89 62 23 28 05Distance: 7 min by footModern Italian restaurant
HofbräukellerInnere Wiener Str. 19, 81667 MunichOpen daily: 10:00 - 22:00Phone: +49 (0)89 45 99 250Distance: 7 min by footBavarian restaurant with a nice beergarden
Wirtshaus in der AuLilienstr. 51, 81669 MunichOpen daily: 17:00 - 00:00Phone: +49 (0)89 44 81 400Distance: 7 min by footFine Bavarian cuisine
Restaurant Del CavaliereWeißenburger Str. 3, 81667 MunichOpen daily: 11:30 - 00:30Phone: +49 (0)89 48 83 88Distance: 9 min by footTraditional Italian restaurant
General Information Scientific ChairProf. Dr. Christian OchsenfeldDepartment of ChemistryLudwig-Maximilians-Universität (LMU) MünchenButenandtstr. 781377 Munich, Germany
Hosting SocietyWATOCWorld Association of Theoretical and Computational Chemistswww.watoc.netwww.watoc2017.com
Organizer & Congress OfficeINTERPLAN Congress, Meeting& Event Management AGLandsberger Str. 15580687 Munich, Germanywww.interplan.dePhone: +49 (0) 89 548234 62Fax: +49 (0) 89 548234 744E-mail: [email protected]
Photos: © muenchen.de/münchen tourismus © Jürgen Fälchle – fotolia.de
Status: August 2017. All information is subject to change.