Programme
Intro Lecture (40min+40min) are coloured in blue
Hands on Tutorials (40min+40min) are coloured in purple
Invited Speakers lectures (35min+5min QA) are coloured in orange
Industry Invited Speakers lectures (16min + 4min QA) are coloured in red
Contributed Speakers lectures (16min + 4min QA) are coloured in black
Panel discussions (50min) are coloured in green
Talk titles are listed also below for reference.
Best Oral and Poster presentation awards will be bestowed during the Closing Ceremony
| Start | Otakaari 1 (U4) Monday | Otakaari 1 (U1) Tuesday | Kaleva Wednesday | Kaleva Thursday | Kaleva Friday |
| 09:00 | Tiihonen | Lysogorskiy | Foster | Kaski | |
| 09:20 | Tiihonen | Lysogorskiy | Foster | Kaski | |
| 09:40 | Tiihonen | Lysogorskiy | Yang | Remes | |
| 10:00 | Tiihonen | Lysogorskiy | Ng | Džeroski | |
| 10:20 | Coffee | Coffee | Panel | Panel | |
| 10:40 | Coffee | Coffee | discussion + | discussion + | |
| 11:00 | Tiihonen | Lysogorskiy | coffee | coffee | |
| 11:20 | Tiihonen | Lysogorskiy | Dorabati | Pimon | |
| 11:40 | Tiihonen | Lysogorskiy | Conduit | Zavadlav | |
| 12:00 | Tiihonen | Lysogorskiy | Conduit | Zavadlav | |
| 12:20 | Lunch | Closing: 10min | Lunch | Closing: 10min | |
| 12:40 | Lunch | Lunch | Lunch | ||
| 13:00 | Lunch | Lunch | Lunch | ||
| 13:20 | Lunch | Lunch | Lunch | ||
| 13:40 | Opening: 10min | Lunch | Opening: 10min | Lunch | |
| 14:00 | Hammer | Evans | Schwaller | Jelfs | |
| 14:20 | Hammer | Evans | Schwaller | Jelfs | |
| 14:40 | Hammer | Evans | Capponi | Kapil | |
| 15:00 | Hammer | Evans | Kronberg | Puukko | |
| 15:20 | Coffee | Coffee | Coffee | Coffee | |
| 15:40 | Coffee | Coffee | Buonassisi | Zeni | |
| 16:00 | Hammer | Evans | Buonassisi | Chang | |
| 16:20 | Hammer | Evans | Berland | Lofgren | |
| 16:40 | Hammer | Evans | Chan | Koivisto | |
| 17:00 | Hammer | Evans | Chan | Sun | |
| 17:20 | |||||
| 17:40 | |||||
| 18:00 | Poster Session | ||||
| 19:00 | Poster Session | ||||
| 20:00 | Poster Session |
Monday
13:00 – 13:45 Registration
13:45 – 14:00 Opening Remarks
14:00 – 15:20 Bjørk Hammer, Intro Lecture: Machine learning acceleration of global structure optimization
15:20 – 16:00 Coffe Break
16:00 – 17:20 Bjørk Hammer, Hands-on : Machine learning acceleration of global structure optimization
Tuesday
9:00 – 10:20 Armi Tiihonen, Intro Lecture: Gaussian Processes and Bayesian Optimization
10:20 – 11:00 Coffee Break
11:00 – 12:20 Armi Tiihonen, Tutorial Lecture: Gaussian Processes and Bayesian Optimization
12:20 – 14:00 Lunch Break
14:00 – 15:20 Matthew Evans, Intro Lecture: Open Databases Integration for Materials Design (OPTIMADE).
15:20 – 16:00 Coffee Break
16:00 – 17:20 Matthew Evans, Hands-on Lecture: Open Databases Integration for Materials Design (OPTIMADE).
Wednesday
09:00 – 10:20 Yury Lysogorskiy, Intro Lecture: Active learning for interatomic potentials development
10:20 – 11:00 Coffee Break
11:00 – 12:20 Yury Lysogorskiy, Hands-on Lecture: Active learning for interatomic potentials development
12:20 – 13:40 Lunch + Registrations
13:40 – 14:00 Opening Remarks
14:00 – 14:40 Philippe Schwaller, Bayesian Optimisation for Chemical Reactions
14:40 – 15:00 Simona Capponi, Batched Bayesian Optimization for molecular structures
15:00 – 15:20 Rasmus Kronberg , Machine learning and materials science on LUMI
15:20 – 15:40 Coffee Break
15:40 – 16:20 Tonio Buonassisi, (full title TBA)
16:20 – 16:40 Kristian Berland, Screening of low lattice thermal conductivity materials using active learning
16:40 – 17:20 Maria Chan, Theory-informed AI for experimental data interpretation
18:00 – 20:00 Poster session + Dinner
Thursday
09:00 – 09:40 Adam Foster, Machine Learning in Scanning Probe Microscopy
09:40 – 10:00 Xin Yang, Investigating oxygen reduction kinetics at gold-water interface using machine learning potentials
10:00 – 10:20 Leonard Ng, High-throughput, Single-experiment Optimisation of Roll-to-roll Fabricated Non-fullerene Acceptor Photovoltaics Using Machine Learning
10:20 – 11:20 Panel discussion and coffee
11:20 – 11:40 Amirhossein Naghdi Dorabati, Neural network interatomic potentials for nanoindentation MD simulations
11:40 – 12:20 Gareth Conduit, The modern-day blacksmith
12:20 – 14:00 Lunch
14:00 – 14:40 Kim Jelfs, Remembering the lab in computational molecular material discovery
14:40 – 15:00 Venkat Kapil, The first-principles phase diagram of monolayer nanoconfined water
15:00 – 15:20 Esa Puukko, Digital manufacturing in stainless steel industry
15:20 – 15:40 Coffee break
15:40 – 16:00 Claudio Zeni, Exploring the robust extrapolation of high-dimensional machine learning potentials
16:00 – 16:20 Ming-Chiang Chang, Integrated autonomous and user-guided active learning for targeted material synthesis
16:20 – 16:40 Joakim Löfgren, Bayesian Optimization for Experimental Materials Design
16:40 – 17:00 Juha Koivisto, Mapping fluid state properties of biofoams to solid state using Bayesian optimization
17:00 – 17:20 Shijing Sun, Application of Machine Learning in EV Battery R&D
Friday
09:40 – 10:00 Ulpu Remes, Multi-fidelity Bayesian Optimization Structure Search
10:00 – 10:20 Saso Dzeroski, Semi-supervised and active multi-target regression for material design
10:20 – 11:20 Panel discussion and coffee
11:20 – 11:40 Martin Pimon, Electrons go Nuclear: A Unique Interaction with Thorium-229
11:40 – 12:20 Julija Zavadlav, Deep Molecular Modeling: The impact of Training objective
12:20 – 12:40 Closing remarks and prize announcement