Molecules

Read more about the article 1-3/03/2022 – AI4SD Network+ Conference 2022 – Chilworth Manor Hotel

1-3/03/2022 – AI4SD Network+ Conference 2022 – Chilworth Manor Hotel

We are the AI3SD Network+ (Artificial Intelligence and Augmented Intelligence for Automated Investigations for Scientific Discovery). The network+ is funded by EPSRC and hosted by the University of Southampton and aims to bring together researchers looking to show how cutting edge artificial and augmented intelligence technologies can be used to push the boundaries of scientific discovery. We launched in December 2018, and this conference marks the end of our network term. This is a three day residential event with a mixture of keynote talks from experts in the different areas of AI for Scientific Discovery, and discussions around different research areas. There will be dedicated time for networking and we will be implementing a smart badge system whereby attendees can mark their badges according to whether they are looking for a collaborator, employment, job candidates, PhD students etc. We will report on the activities of AI3SD over the last three years, including the events we have run, the pilot projects we have funded, and our summer school and summer internship initiatives. There will also be some musical entertainment in the evening. 

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Read more about the article 15/12/2021 – AI3SD Autumn Seminar X: Molecules & Data

15/12/2021 – AI3SD Autumn Seminar X: Molecules & Data

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This seminar forms part of the AI3SD Online Seminar Series that will run across the autumn (from October 2021 to December 2021). This seminar will be run via zoom, when you register on Eventbrite you will receive a zoom registration email alongside your standard Eventbrite registration email. Where speakers have given permission to be recorded, their talks will be made available on our AI3SD YouTube Channel. The theme for this seminar is Molecules & Data.

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Read more about the article 18/11/2020 – AI3SD Winter Seminar Series: Topology and Applications in Chemistry

18/11/2020 – AI3SD Winter Seminar Series: Topology and Applications in Chemistry

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This seminar forms part of the AI3SD Online Seminar Series that will run across the winter (from November 2020 to April 2021). This seminar will be run via zoom, when you register on Eventbrite you will receive a zoom registration email alongside your standard Eventbrite registration email. Where speakers have given permission to be recorded, their talks will be made available on our AI3SD YouTube Channel. The theme for this seminar is Topology and Applications in Chemistry. 

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Read more about the article 05/08/2020 – AI3SD Online Seminar Series: Dimensionality in chemistry: using multidimensional data for machine learning – Dr Ella Gale

05/08/2020 – AI3SD Online Seminar Series: Dimensionality in chemistry: using multidimensional data for machine learning – Dr Ella Gale

https://www.youtube.com/watch?v=NhR7xWlAO4g&ab_channel=AI4ScientificDiscovery Abstract: In the last hundred years mankind has fully absorbed the idea of multi-dimensional space, starting with 4D space time. Due to the increase in computational power, scientists can…

Continue Reading05/08/2020 – AI3SD Online Seminar Series: Dimensionality in chemistry: using multidimensional data for machine learning – Dr Ella Gale

05/08/2020 – AI3SD Online Seminar Series: Dimensionality in chemistry: using multidimensional data for machine learning – Dr Ella Gale

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In the last hundred years mankind has fully absorbed the idea of multi-dimensional space, starting with 4D space time. Due to the increase in computational power, scientists can now manipulate molecules in 4D (3D vibrating molecules in VR) and work with multidimensional datasets, which are needed to utilize big data and machine learning. However, our intuition from 3D space can fall down when dealing with higher dimensions and a lack of intuition can lead to mistakes in analysis. In this talk I will discuss how to think about the best dimensional space to use to describe chemical problems, how multi-dimensional space is different, techniques for using it and analysing the outputs of machine learning.

Continue Reading05/08/2020 – AI3SD Online Seminar Series: Dimensionality in chemistry: using multidimensional data for machine learning – Dr Ella Gale