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
MOLECULAR DYNAMICS
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: Philippe Sautet
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: Piotr Piecuch
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
BIOSYSTEMS
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
Jing Ma 888
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 Jørgen 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
Jin Wen 800
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, Sigbjørn Løland Bore, Michele Cascella, Abril Castro, Odile Eisenstein, Trygve Helgaker, Simen Kvaal, Ainara Nova, Thomas Bondo Pedersen,
Simen Reine, Erik Tellgren, Einar Uggerud
Congress Crew: Morten Ledum (Crew leader), Lucia Moran Gonzalez (Crew leader), Henrique Musseli Cezar (Crew leader), Derya Aricigil, Michael Augello, Lucas Bitencourt Theodoroviez, Marco Bortoli, Klara Elvira Haug Boström, Ning Cao, Aurore Evelyne Francine Denjean, Mohamed Eid Ahmed Safy, Sondre Eliasson, Hanne Jeeyung Eriksen, Håkon R. Fredheim, Miguel Angel Gaona Fernandez, Gabriel Gerez, Hanan Gharayba, Jose Alberto Guerrero Cruz, Helena Hradiska, Catherine Hughes, Hannes Kneiding, Håkon Emil Kristiansen, Manuela Leal Nader, Oliver Macphail Bohle, Daniel Marke, Joel Ormala, Quentin Pitteloud, Mauricio Portolli Franco, Tonje Reinholdt Haugen, Jordan Rio, Inga Schmidtke, Simon Elias Schrader, Oystein Senstad
Congress Organizers: Gyro Conference – watoc@gyro.no