Wednesday 01 June 2022 – Friday 03 June 2022
NCBJ HQ in Otwock / Hybrid Mode
Scientific Program (last updated: May 30th, 2022)
– Welcome Address: NCBJ Director prof. Krzysztof Kurek (10:00–10:05)
- Welcome Address: Atomic energy and Materials Science in Poland (Ministry of Climate and Environment) (10:05–10:10)
- NAWA Welcome Address 1 (Mr Piotr Kępski) (10:10–10:20)
– Welcome Address: Christophe Galle (CEA, Partner of NOMATEN CoE) (10:20–10:25)
– NOMATEN Center of Excellence and Research Goals: Mikko Alava (NOMATEN CoE Director) (10:25–10:30)
[coffee break] (10:30–10:45)
- Overview of the Conference Programme (Stefanos Papanikolaou) (10:45–11:00)
11:00–11:50: Surya Kalidindi, Georgia Tech, USA,
Machine Learning and Materials Informatics Innovation: Current State
[Lunch Buffet] (12:00 – 13:00)
Session 1: Mechanics and defects in crystals: Large data and machine learning (13:00 – 15:15)
Chair: Fabrizio Rovaris (NCBJ)
13:00 – 13:45: Michael Zaiser (FAU Erlangen, Germany), *online, Machine learning microstructure-property relations in mechanics of materials: Prediction, Diagnosis, Optimization.
13:45 – 14:15: Silvia Bonfanti (NCBJ, Poland), Predicting the failure of two-dimensional silica glasses.
14:15 – 14:45: Javier Dominguez (NCBJ, Poland), Machine learning based atomistic dislocation modeling of nanoindentation of irradiated crystalline materials.
14:45 – 15:15: Juha Koivisto (Aalto U, Finland), Thermal gelation of cellulosic fiber methylcellulose mixtures: rheological phases using Bayesian optimization.
[coffee break] [15:15 - 15:30]
Session 2: Interatomic Potentials towards proper capture of mesoscale effects in molecular simulations (15:30 – 18:15)
Chair: Lasse Laurson (Tampere U)
15:30 – 16.15: Boris Kozinsky (Harvard University, USA), Symmetry and uncertainty-aware machine learning models of atomic interactions and dynamics.
16:15 – 17.00: M. Cosmin Marinica (CEA, France), Machine Learning for Atomistic Materials Science
17:00 – 17.45: Gabriel Stoltz (ENPC, France), Coarse-graining molecular systems with autoencoders and adaptive sampling.
17:45 – 18.15: Jan Wrobel (Warsaw University of Technology, Poland), Modelling of properties of Ta-Ti-V-W high-entropy alloys using DFT-based machine learning potentials.
[Poster Session & Buffet] [18:15 - 19:30]
[Breakfast at Hotel -- Buses leave at ~07:45]
Session 3: Large Data Mechanics and Physics of Solids: Applications of materials informatics (09:00–12:15) Chair: Silvia Bonfanti (NCBJ)
09:00 – 09:45: Udo von Toussaint (MPI, Plasmaphysics, Munich, Germany), Physics inspired Machine Learning (ML) Approaches for Materials Science: On the importance of representations, prior information and adaptive.
09:45 – 10.15: Stephanie C. TerMaath (U. Tennesssee, USA) , Reduced order modeling to characterize the damage tolerance of metal/composite hybrid structure.
10:15 – 10:45: Thomas Hochrainer (TU Gratz, Austria), Characterizing discrete dislocation configurations with alignment tensors and correlations.
10:45 – 11:15: Lasse Laurson (Tampere U, Finland), Inferring Microstructure-Property Relationships in Discrete Dislocation Plasticity: Deformation Predictability and Materials Design.
11:15 – 11:45: Luca Messina (CEA, France), Atomic-scale modeling of chemically disordered compounds by means of generative models.
11:45 – 12:15: Henri Salmenjoki (Aalto U, Finland), Correlation between dislocation avalanches and the impact on the stress-strain curve.
[Lunch Buffet] (12:15 – 12:45)
Session 4. Material discovery, materials by design and Multiscale Materials Modeling (12:45–15:00)
Chair: Javier Dominguez (NCBJ)
12:45 – 13:30: Y. Morris Wang (UCLA, USA), Critical modelling and informatics need for materials in additive manufacturing
13:30 – 14:00: Milica Todorovic (Uturk U, Finland), Computational materials engineering with active learning
14:00 – 14:30: Noel Jakse (Grenoble, France), Crystal nucleation in metallic systems: Unsupervised topological learning approach.
14:30 – 15.00 Thomas Swinburn (CINaM, Luminy, Aix-Marseille University, France), Data-driven models for plasticity and thermodynamics in discrete and continuous state spaces.
[coffee break] [15:00-15:15]
Session 5. Machine Learning, Ontologies and data operability approaches in a FAIR world (15:15–18:00) Chair: Amin Esfandiarpour (NCBJ)
15:15 – 16:00: Stefan Sandfeld (FZ Jülich, Germany) *online, From Ontologies and FAIR Data to Ma-chine Learning-based High-Throughput Data Mining of In-Situ TEM Experiments on Dislocations in HEAs
16:00 – 16:45: Wing-Kam Liu (Northwestern U, USA) *online, Hierarchical Deep Learning Neural Network (HiDeNN) -FEM-AI for process design and performance prediction of material systems.
16:45 – 17:30: Maciej Mazurowski (Duke U, USA) *online, Deep learning in medical imaging
17:30 – 18:00: Akhtar Zeb (VTT, Finland), Ontological modelling of creep void analysis data to automate machine learning training process.
[Welcome Dinner -- Restauracja Warszawska -- Warsaw Downtown -- 20:15]
Session 6. Industry applications and opportunities of materials informatics methods (09:30–12:15)
Chair: Karol Frydrych (NCBJ)
09:30 – 10.15: Arkadiusz Sitek (Sano Institute, Poland), Sano Centre for Computational Medicine – journey to transform healthcare.
10:15 – 10.45: Pawel Sobkowicz (NCBJ, Poland), Selected legal aspects of AI/ML development and deployment.
10:45 – 11.15: Anna Wawrzynczak-Szaban (NCBJ, Poland), The Artificial Neural Network Model for the contamination source emergency localization system.
11:15 – 11.45: Kamran Karimi (NCBJ), Using machine learning to predict short-range ordering in metallic glasses.
11:45 – 12.15: Marcin Minkowski (TAU, Finland), Strain-rate-dependent predictability of discrete dislocation plasticity.
[Lunch Buffet] (12:15 – 12:45)
Concluding Remarks Round Table (June 3rd) (12:45 – 13:15)