After the success of our Summer Seminar Series, we decided to run a Winter Seminar Series starting in November 2020 and running into April 2021. The Series took place on Wednesday afternoons between 14:00 and 16:45, and each session had a running theme with 2 or 3 talks.
Below is the timetable for the series, with links to individual Event. A majority of these seminars were recorded and are available on the AI3SD YouTube Channel.
18 November 2020 – Topology & Applications in Chemistry
| Speaker | Talk | Video Link | DOI Link | |
 | Topology: From shapes to numbers Professor Jacek Brodzki (University of Southampton) | Video Link | DOI Link | |
 | New theoretical and data-driven approaches to the study of molecular conformational spaces and energy landscapes Dr Ingrid Membrillo Solis (University of Southampton) | Video Link | DOI Link | |
 | The Shape of Data in Chemistry – Insights Gleaned from Complex Solutions and Their Interfaces Professor Aurora Clark (Washington State University) | Video Link | DOI Link |
2 December 2020 – Robots, AI & NLP in Drug Discovery
| Speaker | Talk | Video Link | DOI Link |
 | Natural Language Processing in AI-driven Drug Discovery: What it is, why it matters and how (not) to do it Dr Sia Togia (Benevolent AI) | Not available | Not available |
 | New Trends in Drug Discovery Dr Martin-Immanuel Bittner (Arctoris) | Video Link | DOI Link |
 | An Open Competition of People and Machines to Develop Predictive Models for Antimalarial Drug Discovery Professor Matthew Todd (University College London) | Video Link | DOI Link |
16 December 2020 – Enhancing Experiments through Machine Learning
| Speaker | Talk | Video Link | DOI Link |
 | Interpretable machine learning for materials design and characterization Dr Keith Butler (STFC) | Video Link | DOI Link |
 | When charge transport data are a worm – a transfer learning approach for unsupervised data classification Professor Tim Albrecht (University of Birmingham) | Video Link | DOI Link |
 | Prediction in organometallic catalysis – a challenge for computational chemistry Dr Natalie Fey (University of Bristol) | Video Link | DOI Link |
20 January 2021 – ML 4 Scientific Discovery
| Speaker | Talk | Video Link | DOI Link |
 | Data-driven materials discovery for functional applications Professor Jacqui Cole (University of Cambridge) | Video Link | DOI Link |
 | Outlier detection in Scientific Discovery Dr Jo Grundy (University of Southampton) | Video Link | DOI Link |
3 February 2021 – Graphs, Networks & Molecules
| Speaker | Talk | Video Link | DOI Link |
 | Machine learning for electronically excited states of molecules Dr Julia Westermayr (University of Warwick) | Video Link | DOI Link |
 | Machines Learning Chemistry Professor Jonathan Hirst (University of Nottingham) | Video Link | DOI Link |
 | Preserving Structural Motifs in Machine-Learning Approaches to Modeling Water Clusters Dr Jenna A. Bilbrey (Pacific Northwest National Laboratories) | Video Link | DOI Link |
10 February 2021 – Semantic Web Technologies in Chemistry
| Speaker | Talk | Video Link | DOI Link |
 | Semantic Web in Scientific Research – Possibilities & Practices Dr Samantha Kanza (University of Southampton) | Video Link | DOI Link |
 | Ontologies, Natural Language, Annotation and Chemistry Dr Colin Batchelor (Royal Society of Chemistry) | Video Link | DOI Link |
 | H2020 Project Onto Trans Dr Alexandra Simperler (Goldbeck Consulting) | Video Link | DOI Link |
24 February 2021 – Materials Machine Learning (MML)
| Speaker | Talk | Video Link | DOI Link |
 | Deep Learning Enhanced Quantum Chemistry: Pushing the limits of Materials Discovery Dr Reinhard Maurer (University of Warwick) | Video Link | DOI Link |
 | Accelerating structure prediction models for materials discovery Professor Graeme Day (University of Southampton) | Video Link | DOI Link |
 | High-Throughput Approaches for the Discovery of Supramolecular Organic Materials: Fusing Computational Screening with Automated Synthesis’? Dr Becky Greenaway (Imperial College London) | Not available | Not available |
17 March 2021 – Property Prediction
| Speaker | Talk | Video Link | DOI Link |
 | Generating a Machine-Learned Equation of State for Fluid Properties Professor Erich Müller (Imperial College London) | Video Link | DOI Link |
 | Machine Learning with Causality: Solubility Prediction in Organic Solvents and Water Dr Bao Nguyen (University of Leeds) | Video Link | DOI Link |
14 April 2021 – AI 4 Proteins
| Speaker | Talk | Video Link | DOI Link |
 | Machine learning for biological sequence design Dr Lucy Colwell (University of Cambridge) | Video Link | DOI Link |
 | Machine learning applications for macro-molecular X-ray crystallography at Diamond Dr Melanie Vollmar (Diamond) | Video Link | DOI Link |
21 April 2021 – Targets
| Speakers | Talk | Video Link | DOI Link |
 | Using convolutional neural networks to enable neoantigen load as a biomarker of cancer immunotherapy Dr Felicia Ng (AstraZeneca) | Not available | Not available |
 | Can Lattice Theory Help Find a Cure for Paralysis? Dr Nicola Richmond (GlaxoSmithKline) | Not available | Not available |