Conference recording: Data-driven discovery in the chemical sciences Faraday Discussion

13 January 2025 09:00 - 24 January 2025 17:00


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Introduction

Welcome: from this page you can purchase selected video recordings from Data-driven discovery in the chemical sciences Faraday Discussion that took place at Trinity College, Oxford, 10 - 12 September 2024,


The sales window will be open 13 - 24 January 2025. During this time, click on the 'Book now' button above to purchase. 

Interested in purchasing conference recordings, but not this particular conference? Let us know your video on-demand needs by clicking on the survey under 'Useful links'.

Faraday Discussions are a unique conference format that priorities discussion. At a Faraday Discussion, the primary research papers written by the speakers are distributed to all participants before the meeting – ensuring that most of the meeting is devoted to discussing the latest research.
 
This provides a genuinely collaborative environment, where discussion and debate are at the foreground. All delegates, not just speakers, are invited to make comments, ask questions, or present complementary or contradictory measurements and calculations.

See Useful Links for more information about this conference and about Faraday Discussions.

Purchasing videos

Registration will provide you with access to the video recording of selected presentations from the original live conference for approximately five months. You will have have access to the pre-prints providing a full paper for each talk, and to the discussion sessions in that recording.

Go to the Registration section below to view the recordings that are available to purchase for this Faraday Discussion. Prior to purchase please view the preview of the recording accessible in the "Useful links" section of this page, so that you are aware of the audio and visual quality.

Deadlines

This is a limited promotion and you will only be able to purchase recordings between 13 - 24 January 2025. If you choose to purchase a video recording from this Faraday, then you will be able to access the recording between 13 January 2024 - 13 May 2025. After 13 May the recording will expire and you will no longer be able to access it online. Don't miss this opportunity to experience parts of the science shared at this Faraday Discussion for a fraction of the live registration fee.
 

Themes from this Faraday Discussion

The Discussion involved four central themes – each focused on different aspects of chemical "discovery", and each aiming to promote the exchange of ideas between the molecular and materials communities:
 
Discovering chemical structure
Data-driven modelling of chemical structure, including the development of accurate interatomic potentials, data-driven structure prediction, generative models for molecules, and related themes.
 
Discovering structure–property correlations
The role of data-driven techniques in establishing structure–property correlations. This session will focus on the “learning” of relevant properties and the development of predictive and explainable AI approaches for chemistry.
 
Discovering trends in big data
Progress and challenges in molecular and materials representations, data generation, handling, and sharing. This session will also consider how open data (e.g., findable, accessible, interoperable, and re-usable, FAIR) principles can be efficiently and practically implemented in the chemical sciences
 
Discovering synthesis targets
Data-driven approaches to translate computational predictions into the identification and realisation of new synthesis targets. Understanding the potential and limitations of AI to optimise reactions, predict reaction scope, and potential synthesisability.
Registration
Please see the below table for recordings that are available to purchase from this Faraday Discussion. To purchase, take a note of the recording number and click on 'Book Now' at the top of this page between 13 - 24 January 2025. Prices are inclusive of VAT at the standard rate. 

Prior to purchase please view the preview of the recording accessible in the "Useful links" section of this page, so that you are aware of the audio and visual quality.

Upon purchase, please allow up to 16 hours for access to the conference recording to be emailed to you. 


Why not take a look at the other events you can also access recordings for? Take a look at the linked events at the top of this page. 
 

Recording number: Data-driven discovery #01

Presentations in the recording Duration Price
Welcome and introductions
Volker Deringer and Fernanda Duarte, Co-chairs of Scientific Committee

Session 1: Discovering chemical structure
Beyond theory-driven discovery: introducing hot random search and datum-derived structures
Chris Pickard, University of Cambridge, UK
Integration of generative machine learning with the heuristic crystal structure prediction code FUSE
Chris Collins, University of Liverpool, UK
Large property models: a new generative machine-learning formulation for molecules
Brett Savoie, Purdue University, USA
Discussion of above papers

Session 1 continued: Discovering Chemical structure
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
Venkat Kapil, University of Cambridge, UK
Knowledge distillation of neural network potential for molecular crystals
Takuya Taniguchi, Waseda University, Japan
Discussion of above papers
3 hours and 4 mins £30


Recording number: Data-driven discovery #02

Presentations in this recording Duration Price
Session 4: Discovering synthesis targets

Mapping inorganic crystal chemical space
Aron Walsh, Imperial College London, UK
A critical reflection on attempts to machine-learn materials synthesis insights from text-mined literature recipes
Wenhao Sun, University of Michigan, Ann Arbor, USA
Discussion of above papers
1 hour and 9 mins £20
Contact information
Conference Recordings Team
Royal Society of Chemistry
Thomas Graham House,
Science Park,
Milton Road,
Cambridge,
CB4 0WF
UK
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