AGENDA
Monday 23 June
08:30
Session A1
CATALYSIS & REACTIVITY
Reactants, reactions, and catalysis
Chair: Kevin Naidoo
Raghavan Sunoj 963
Stuart Macgregor 926
Ashique Lal 207
Boris Maryasin 127
Session B1
ELECTRONIC-STRUCTURE THEORY
Green's function methods
Chair: Andreas Görling
Dominika Zgid 924
Wim Klopper 458
Marios-Petros Kitsaras 124
Arno Förster 572
Session C1
BIOSYSTEMS
Cheminform. & medicinal chemistry
Chair: Stacey Wetmore
Jean-Louis Reymond 986
Jan Řezáč 480
Elfi Kraka 130
Jean-Philip Piquemal 699
Session D1
COMPUTING & SOFTWARE
Quantum computing
Chair: Ivan Kassal
Birgitta Whaley 919
Artur Izmaylov 131
Davide Castaldo 327
Karl Michael Ziems 260
Session E1
CHEMICAL STRUCTURE & BONDING
Conjugated systems
Chair: Peter Schreiner
Debashree Ghosh 871
Abhik Ghosh 973
Martin Rahm 23
Takafumi Shiraogawa 313
10:20
Session A2
MACHINE LEARNING
ML for simulations
Chair: Heather Kulik
Gábor Csányi 967
Alexandre Tkatchenko 995
Jelle Vekeman 785
Michael Gillhofer 317
Session B2
CATALYSIS & REACTIVITY
Surfaces and heterogenous catalysis
Chair: Angel Martín Pendás
Philippe Sautet 873
Núria López 972
Christopher Stein 287
Mireia Segado-Centellas 716
Session C2
ELECTRONIC-STRUCTURE THEORY
Numerical methods and techniques
Chair: Stefan Grimme
Peter Gill 953
Luca Frediani 896
Alexander Stark 157
Eduard Matito 136
Session D2
BIOSYSTEMS
Macromolecules
Chair: Benedetta Mennucci
Lynn Kamerlin 49
Subha Kalyaanamoorthy 653
Xiang Sheng 196
Adil Kabylda 547
Session E2
ELECTRONIC-STRUCTURE THEORY
Ultrahigh accuracy and QED
Chair: Fritz Schaefer
Trond Saue 349
Jacek Komasa 178
Ádám Margócsy 775
Pekka Pyykkö 486
13:20
Session A3
ELECTRONIC-STRUCTURE THEORY
Coupled-cluster theory
Chair: Jürgen Gauss
Piotr Piecuch 923
Henrik Koch 862
Karol Kowalski 199
Francesco Evangelista 348
Session B3
ENERGY & MATERIALS
Condensed systems
Chair: Yi Qin Gao
Francesco Paesani 752
Damien Laage 918
Jochen Blumberger 54
Marco Nascimento 223
Session C3
CATALYSIS & REACTIVITY
Molecular and reaction design
Chair: Vidar Remi Jensen
Yousung Jung 441
Jan H. Jensen 440
Kevin Naidoo 171
Gyula Hoffka 815
Session D3
QUANTUM DYNAMICS
Nonadiabatic dynamics
Chair: Ove Christiansen
Alicia Palacios 804
Jian Liu 86
Peter Schürger 166
Oliver Kühn 412
Session E3
BIOSYSTEMS
Macromolecules
Chair: Elfi Kraka
Ferran Feixas 622
Taye Demissie 673
Petra Imhof 339
Ana Gamiz-Hernandez 917
15:10
Session A4
ELECTRONIC-STRUCTURE THEORY
Explicit correlation
Chair: Wim Klopper
Seiichiro Ten-no 874
Ali Alavi 853
Éva Zsuzsanna Mihálka 470
Silvia di Grande 587
Session B4
MACHINE LEARNING
ML for chemical reactions
Chair: Sigbjørn Løland Bore
Boris Kozinsky 971
Fernanda Duarte 842
Joakim Jestilä 246
Jessica White 667
Session C4
BIOSYSTEMS
Macromolecules
Chair: Qiang Cui
Modesto Orozco 819
Alessandra Magistrato 202
Mariastella Cascone 544
David Carrasco De Busturia 165
Session D4
CHEMICAL STRUCTURE & BONDING
Early elements
Chair: Gabriel Merino
Miroslav Urban 270
ED Jemmis 163
Celina Sikorska 738
Tatiana Korona 276
Session E4
QUANTUM DYNAMICS
Ultrafast dynamics
Chair: Thomas Bondo Pedersen
Francoise Remacle 887
Michal Repisky 962
H. Bernhard Schlegel 197
Jonathan Fetherolf 701
17:00
Session A5
ELECTRONIC-STRUCTURE THEORY
Density-functional development
Chair: Weitao Yang
Martin Head-Gordon 957
Erin Johnson 505
Fritz Schaefer 687
Viktor Staroverov 154
Session B5
MACHINE LEARNING
ML for chemical design
Chair: David Balcells
Clémence Corminbœuf 446
Anatole von Lilienfeld 442
Konstantinos Vogiatzis 10
Thijs Stuyver 43
Session C5
COMPUTING & SOFTWARE
Quantum computing
Chair: Birgitta Whaley
Ivan Kassal 356
Marco Govoni 902
Maria-Andreea Filip 419
Yu Zhang 20
Session D5
QUANTUM DYNAMICS
Ultrafast dynamics
Chair: Federica Agostini
Fernando Martín García 663
Ove Christiansen 959
Jiří Vaníček 691
Nazanin Jamshidi 140
Session E5
CATALYSIS & REACTIVITY
Electrochemistry and related
Chair: Cristina Trujillo
Samira Siahrostami 21
Maria Besora 402
Tangui Le Bahers 169
Melissa Manetsch 362
Tuesday 24 June
08:30
Session A1
CATALYSIS & REACTIVITY
Surfaces and heterogenous catalysis
Chair: Stuart Macgregor
Anastassia Alexandrova 38
Ataualpa Braga 901
Mikhail Polynski 357
Basil Raju 47
Session B1
ELECTRONIC-STRUCTURE THEORY
Many-body methods & NCI
Chair: Seiichiro Ten-no
Katarzyna Pernal 875
Janus Juul Eriksen 810
Daniel Boese 443
Andreas Hansen 121
Session C1
BIOSYSTEMS
Bio/nanosystems
Chair: Michele Cascella
Daan Frenkel 703
Wataru Shinoda 782
Katie Wilson 97
João Coimbra 597
Session D1
ELECTRONIC-STRUCTURE THEORY
Relativistic quantum chemistry
Chair: Trond Saue
Wenjian Liu 436
Jürgen Gauss 438
Achintya Kumar Dutta 215
Erik Donovan Hedegård 497
Session E1
SPECTROSCOPY
Polarization models
Chair: Russell Boyd
Benjamin Stamm 798
Kaline Coutinho 938
Cedrix Dongmo Foumthuim 624
Tommaso Nottoli 305
10:20
Session A2
CATALYSIS & REACTIVITY
Molecular and reaction design
Chair: Odile Eisenstein
Satoshi Maeda 307
Markus Reiher 80
Derek Ahneman 161
Giovannimaria Piccini 698
Session B2
ENERGY & MATERIALS
Materials and energy
Chair: Leticia González
Laura Gagliardi 702
Elena Besley 763
Tim Kowalczyk 239
Shubhajit Das 609
Session C2
ELECTRONIC-STRUCTURE THEORY
Berry phase & complex wavefunctions
Chair: Henrik Koch
Hardy Gross 949
Joseph Subotnik 686
Ansgar Pausch 581
Bang Huynh 191
Session D2
QUANTUM DYNAMICS
Ultrafast dynamics
Chair: Fernando Martín García
Federica Agostini 388
Morgane Vacher 820
Yi Zhao 720
Angela Wilson 680
Session E2
BIOSYSTEMS
Bio/nanosystems
Chair: Modesto Orozco
Biswarup Pathak 921
Matteo Dal Peraro 728
Gioacchino Schifino 580
Samaneh Davoudi 79
13:20
Session A3
ELECTRONIC-STRUCTURE THEORY
Density-functional development
Chair: Miroslav Urban
Kieron Burke 922
Eunji Sim 807
Jacques Desmarais 128
Priya Priya 692
Session B3
MACHINE LEARNING
ML for chemical reactions
Chair: Francesco Paesani
Teresa Head-Gordon 847
Dennis Salahub 91
Jordi Buils 479
Haobo Li 26
Session C3
BIOSYSTEMS
Cheminform. & medicinal chemistry
Chair: Ursula Röthlisberger
William Jorgensen 808
Zoe Cournia 981
Stacey Wetmore 321
Christoph Riplinger 714
Session D3
QUANTUM DYNAMICS
DMRG and MCTDH
Chair: Francoise Remacle
Irene Burghardt 666
Zhigang Shuai 773
Yuki Kurashige 56
Henrik Larsson 134
Session E3
CHEMICAL STRUCTURE & BONDING
f-block elements
Chair: Pekka Pyykkö
Karin Fink 722
Miho Hatanaka 713
Sergey Varganov 524
Meagan Oakley 700
15:10
Session A4
CATALYSIS & REACTIVITY
Surfaces and heterogenous catalysis
Chair: Raghavan Sunoj
Annabella Selloni 748
Akira Nakayama 681
Seungjae Kwak 437
Francesc Viñes Solana 89
Session B4
SPECTROSCOPY
Methods for excited electronic states
Chair: Frank Neese
Emmanuel Fromager 755
Weitao Yang 956
Momir Mališ 787
Lars Goerigk 139
Session C4
BIOSYSTEMS
Multiscale modelling
Chair: Marco De Vivo
Benedetta Mennucci 832
Paula Homem-de-Mello 685
Yingjie Wang 117
Sebastian Reiter 594
Session D4
ELECTRONIC-STRUCTURE THEORY
Strong correlation & entanglement
Chair: Gustavo Scuseria
Shuhua Li 881
Mario Piris 16
Jiří Pittner 77
Sarai Dery Folkestad 94
Session E4
ENERGY & MATERIALS
Condensed systems
Chair: Marco Nascimento
Nicola Gaston 955
Pavel Jungwirth 664
Sheh-Yi Sheu 19
Jun-Ho Choi 50
17:00
Session A5
MOLECULAR DYNAMICS
Honorary session: 40 years of AIMD
Chair: Matteo Dal Peraro
Roberto Car 987
Ursula Röthlisberger 960
Mark Tuckerman 395
Amin Alibakhshi 771
Session B5
ELECTRONIC-STRUCTURE THEORY
Methods for larger systems
Chair: David Sherrill
Christian Ochsenfeld 952
Hiromi Nakai 723
Filippo Lipparini 826
Maristella Alessio 187
Session C5
CATALYSIS & REACTIVITY
Reactants, reactions, and catalysis
Chair: Annia Galano
David Wales 969
Feliu Maseras 674
Sebastian Kozuch 2
Masataka Nagaoka 44
Session D5
SPECTROSCOPY
Circular dichroism
Chair: Kenneth Ruud
Daniel Crawford 757
Luuk Visscher 814
WanZhen Liang 243
Marco Caricato 138
Session E5
EXOTIC SYSTEMS
Strong fields and high pressure
Chair: Peter Schwerdtfeger
Stella Stopkowicz 941
Andrew Wibowo-Teale 671
Eva Zurek 697
Mercedes Alonso 393
Thursday 26 June
08:30
Session A1
ELECTRONIC-STRUCTURE THEORY
Methods for periodic systems
Chair: Christian Ochsenfeld
Georg Kresse 831
Lin Lin 571
David Tew 870
Philip Hoggan 13
Session B1
SPECTROSCOPY
Methods for excited states
Chair: Emmanuel Fromager
Julia Westermayr 364
Hannes Jonsson 660
Thomas Froitzheim 81
Elli Selenius 790
Session C1
BIOSYSTEMS
Multiscale modelling
Chair: Stefano Vanni
Qiang Cui 689
Garnet Chan 872
Andrea Pérez-Villa 504
Andrea Levy 601
Session D1
CHEMICAL STRUCTURE & BONDING
Analysis
Chair: Henry Rzepa
Matthias Bickelhaupt 670
Frank de Proft 813
Inbal Tuvi-Arad 749
Jacob Toney 394
Session E1
ENERGY & MATERIALS
Photophysics and photochemistry
Chair: Zhigang Shuai
Dage Sundholm 797
Jin Wen 800
Dana Nachtigallová 636
Sofia Canola 582
10:20
Session A2
ELECTRONIC-STRUCTURE THEORY
Simpler model systems
Chair: Anna Krylov
Stefan Grimme 825
Peter Schwerdtfeger 92
Per Siegbahn 212
Itai Panas 679
Session B2
CATALYSIS & REACTIVITY
Reactants, reactions, and catalysis
Chair: Manuel Yañez
Evert Jan Meijer 943
Bastian Skjelstad 715
Amalia Poblador Bahamonde 880
Zhexuan Song 654
Session C2
BIOSYSTEMS
Multiscale modelling
Chair: Garnet Chan
Carme Rovira 863
Marco De Vivo 817
Stefano Serapian 120
Allison Keys 226
Session D2
ENERGY & MATERIALS
Photophysics and photochemistry
Chair: Dage Sundholm
Kumar Vanka 899
Leticia González 964
Enrico Tapavicza 523
Enrique Manuel Arpa 411
Session E2
COMPUTING & SOFTWARE
Software
Chair: Daniel Crawford
Patrick Norman 898
Susi Lehtola 799
John Herbert 24
David Sherrill 513
13:20
Session A3
ELECTRONIC-STRUCTURE THEORY
Density-functional development
Chair: Jiali Gao
Stefan Vučković 837
Martin Kaupp 661
Hans Jorgen Aa. Jensen 457
Aaron Garrison 159
Session B3
CATALYSIS & REACTIVITY
Molecular and reaction design
Chair: Ainara Nova
Annia Galano 508
Vidar Remi Jensen 946
Cristina Trujillo 36
Wataru Matsuoka 237
Session C3
MACHINE LEARNING
ML for simulations
Chair: Konstantinos Vogiatzis
Yi Luo 737
Yi Qin Gao 882
Amanda Arcidiacono 537
Krzysztof Szalewicz 730
Session D3
SPECTROSCOPY
Rotovibrational spectra
Chair: Sonia Coriani
Attila Császár 931
Guntram Rauhut 106
Ayaki Sunaga 735
Frederik Tielens 72
Session E3
TEACHING & EDUCATION
Teaching & education
Chair: Trygve Helgaker
Anders Malthe-Sorenssen 998
Peter Taylor 1001
Dirk Andrae 367
Henry Rzepa 12
15:10
Session A4
CATALYSIS & REACTIVITY
Reactants, reactions, and catalysis
Chair: Feliu Maseras
Jing Ma 888
Fahmi Himo 928
Johannes Hoja 575
Michele Assante 769
Session B4
ENERGY & MATERIALS
Materials and energy
Chair: Evert Jan Meijer
Debra Bernhardt 751
Sara Bonella 827
Virginia Carnevali 538
Tuanan Lourenço 334
Session C4
ELECTRONIC-STRUCTURE THEORY
Optimization in quantum chemistry
Chair: Erik Tellgren
Éric Cances 742
Roland Lindh 672
Giovanni Scalmani 619
Hugh Burton 712
Session D4
MACHINE LEARNING
ML for electronic structure
Chair: Hiromi Nakai
Paola Gori-Giorgi 867
Matthias Kick 233
Angel Martín Pendás 58
Tomáš Bučko 214
Session E4
SPECTROSCOPY
Positrons & weak interactions
Chair: Edit Mátyus
Gustavo Aucar 861
Robert Berger 360
Dermot Green 256
Kenneth Jordan 1
17:00
Session A5
SPECTROSCOPY
Spectroscopy & energy surfaces
Chair: Abril Castro
Sonia Coriani 925
Anna Krylov 382
Ida-Marie Høyvik 721
Takeshi Sato 651
Session B5
ELECTRONIC-STRUCTURE THEORY
Beyond standard DFT
Chair: Paola Gori-Giorgi
Paul Ayers 733
Jiali Gao 904
Andreas Görling 220
Lucien Dupuy 631
Session C5
ENERGY & MATERIALS
Materials and energy
Chair: Laura Gagliardi
Marie-Liesse Doublet 966
Emi Minamitani 93
Gloria I. Cárdenas-Jirón 795
Antti Karttunen 607
Session D5
BIOSYSTEMS
Bio/nanosystems
Chair: Carme Rovira
Sergio Pantano 417
Cristiana Di Valentin 794
Stefano Vanni 643
Maurício Coutinho Neto 732
Session E5
CHEMICAL STRUCTURE & BONDING
Coordination chemistry
Chair: ED Jemmis
Gabriel Merino 392
Jeanet Conradie 118
Julien Panetier 53
Konrad Patkowski 122
Congress Chair: Trygve Helgaker
Congress Secretaries: Simen Reine, Erik Tellgren
Young WATOC Chairs:
Abril Castro, Ainara Nova
Local Congress Committee: David Balcells, Michele Cascella, Abril Castro, Odile Eisenstein, Trygve Helgaker, Simen Kvaal, Ainara Nova, Thomas Bondo Pedersen,
Simen Reine, Erik Tellgren, Einar Uggerud
Congress Organizers: Gyro Conference – watoc@gyro.no