WORKSHOP PROGRAM 2026

AI and Machine Learning for the Physical Sciences


Workshop Series Overview

Machine learning (ML) and artificial intelligence (AI) are transforming research across chemistry, materials science, electrochemistry, and related disciplines. From accelerating materials discovery and modelling complex physical systems to enabling autonomous experimentation, these technologies are becoming integral to modern scientific research. To fully exploit their potential, researchers require a solid understanding of both the underlying methods and their scientific limitations.

This workshop series brings together leading researchers and practitioners to provide a rigorous introduction to ML and AI for the physical sciences. Organised into four thematic modules, the programme covers the mathematical foundations of machine learning, core algorithms—including neural networks, graph neural networks, Gaussian processes, physics-informed ML, and generative AI—and their application to materials discovery, spectroscopy, electrochemistry, computational modelling, and self-driving laboratories.

A dedicated module focuses on scientific rigour, addressing explainability, reproducibility, uncertainty quantification, benchmarking, and the ethical and responsible use of AI in research. Particular emphasis is placed on validation strategies, transparency, and the challenges associated with applying ML to small datasets, expensive experiments, and physically constrained systems.

By combining methodological foundations with domain-specific applications, the series equips researchers with the knowledge needed to critically evaluate, implement, and validate AI-driven approaches while fostering responsible innovation in the physical sciences.




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Forthcoming Workshops in 2027:


WORKSHOPS

Jan. 2027 - April 2027

  • Coatings and surface engineering technologies
  • Corrosion and corrosion protection
  • Green chemistry
  • Catalysis
  • Safety in R/D institutions



WORKSHOPS

Mai 2027 - Aug. 2027

  • Entrepreneurship
  • Ammoniac economy
  • Recycling technologies and waste valorisation
  • High temperature Materials
  • Optoelectrics


Choose the workshops you need in one or several topics and take advantage of our amazing WORKSHOP PACKAGES here.

AI and Machine Learning for the Physical Sciences


1. Machine Learning for Scientists: Supervised, Unsupervised, and Probabilistic Learning (04.09.2026)
Foundations & Scientific Insight Expansion: Building core ML understanding tailored to scientific problems, enabling robust pattern discovery, uncertainty quantification, and data-driven hypothesis generation.


2. Neural Networks and Deep Learning: Architecture and Physical Intuition (11.09.2026)
Scalable Modeling & Physical Reasoning Integration: Designing deep architectures informed by physical laws to improve interpretability, efficiency, and generalization in complex scientific systems.


3. Scientific Data: Representations, Descriptors, and Preprocessing (18.09.2026)
Data Quality & Feature Engineering Optimization: Transforming raw experimental and simulation data into meaningful, ML-ready representations that enhance model accuracy and reproducibility.


4. Gaussian Processes and Bayesian Optimisation for Science (25.09.2026)
→ Uncertainty-Aware Optimization & Efficient Exploration: Leveraging probabilistic models to guide experiments, reduce sample costs, and accelerate discovery under uncertainty.


5. Graph Neural Networks for Molecules and Materials (02.10.2026)
Structure-Aware Learning & Atomic-Level Prediction: Utilizing graph-based representations to capture relational information in molecules and materials for accurate property prediction and design.


6. Machine Learning Interatomic Potentials and Force Fields (09.10.2026)
High-Fidelity Simulation Acceleration: Replacing expensive quantum calculations with ML-driven potentials to enable large-scale, near-ab initio accuracy simulations.


7. Physics-Informed Machine Learning (16.10.2026)
Hybrid Modeling & Constraint Integration: Embedding physical laws into ML models to improve data efficiency, extrapolation, and trustworthiness in scientific predictions.


8. Generative Models for Molecules and Materials (23.10.2026)

compounds and materials with desired properties using generative AI approaches such as VAEs, GANs, and diffusion models.


9. AI for Electrochemical Data Analysis (30.10.2026)
Signal Interpretation & Process Optimization: Applying AI to extract insights from complex electrochemical signals, improving battery diagnostics and reaction understanding.


10. AI-Accelerated Materials Discovery (06.11.2026)
End-to-End Discovery Pipelines: Integrating ML across simulation, experimentation, and screening to drastically shorten the materials innovation cycle.


11. AI for Spectroscopy and Characterisation (13.11.2026)
Automated Interpretation & High-Throughput Analysis: Using AI to decode complex spectra and imaging data, enabling faster and more accurate material characterization.


12. Large Language Models and AI Tools for Research Practice (20.11.2026)
Research Augmentation & Knowledge Automation: Leveraging LLMs for literature review, coding, documentation, and scientific communication to enhance productivity and insight generation.


13. Autonomous Experimentation and Self-Driving Laboratories (27.11.2026)
Closed-Loop Discovery & Robotic Automation: Combining AI, robotics, and real-time feedback to create fully automated labs capable of independent experimentation and optimization.


14. Explainability and Interpretability in Scientific ML (04.12.2026)
→ Transparent Models & Scientific Trust: Developing methods to understand ML decisions, ensuring alignment with physical principles and enabling actionable insights.


15. Reproducible ML in Science: Workflows, Benchmarks, and Best Practices (11.12.2026)
Robust Research & Standardized Pipelines: প্রতিষ্ঠuting reproducible workflows, data/version control, and benchmarking standards to ensure reliability and comparability of results.


16. Ethics, Bias, and Responsible AI in the Physical Sciences (18.12.2026)
Responsible Innovation & Risk Mitigation: Addressing bias, fairness, environmental impact, and ethical considerations in deploying AI within scientific and industrial contexts.

Special price offers for WORKSHOP PACKAGES
Package Number Industry* Academy Student**
Standard Price 1 Workshop 250€ 150€ 100€
Early-Bird 1 Workshop 200€ 125€ 75€
Knight 2 Workshops 375€ 225€ 150€
Royal 5 Workshops 825€ 500€ 325€
Imperial 10 Workshops 1250€ 750€ 500€

Our Workshop packages are valid for any workshops offered by our academy and can be used anytime. If you want to use one of our packages press here.

* Note that prices are subject to VAT (for European countries, except Germany, provide the VAT number of your organisation to be within the VAT reverse framework payment).
** Copy of the registration certificate (Ph.D, undergraduates)