The University of Southampton
University of Southampton Institutional Repository
Warning ePrints Soton is experiencing an issue with some file downloads not being available. We are working hard to fix this. Please bear with us.

AI3SD Video: Simulation of chemical dynamics and spectroscopy with deep learning representations of electronic structure

AI3SD Video: Simulation of chemical dynamics and spectroscopy with deep learning representations of electronic structure
AI3SD Video: Simulation of chemical dynamics and spectroscopy with deep learning representations of electronic structure
This talk forms part of the ML4MC (Machine Learning for Materials and Chemicals Series which has been organised as a joint venture between the Artificial Intelligence for Scientific Discovery Network+ (AI3SD) and the Directed Assembly Network. This series ran over summer 2021 and covers topics that encompass our overlapping Network interests of AI, Machine Learning, Artificial Photosynthesis, Biomimetic Materials, Crystal Design & Engineering, Materials, Molecules, Photochemistry, Photocatalysis and Supramolecular Chemistry. This video was the twelth talk in the ML4MC series and formed part of the session "Mentor Talks".
AI3SD Event, Directed Assembly, Materials, Chemicals, Machine Learning, Summer School, Training
Maurer, Reinhard J.
cad1a0c1-cfa8-4a5d-8b52-5bee7e761f3f
Kanza, Samantha
b73bcf34-3ff8-4691-bd09-aa657dcff420
Frey, Jeremy G.
ba60c559-c4af-44f1-87e6-ce69819bf23f
Maurer, Reinhard J.
cad1a0c1-cfa8-4a5d-8b52-5bee7e761f3f
Kanza, Samantha
b73bcf34-3ff8-4691-bd09-aa657dcff420
Frey, Jeremy G.
ba60c559-c4af-44f1-87e6-ce69819bf23f

Maurer, Reinhard J. (2021) AI3SD Video: Simulation of chemical dynamics and spectroscopy with deep learning representations of electronic structure. Kanza, Samantha and Frey, Jeremy G. (eds.) Machine Learning for Materials & Chemicals Seminar Series 2021, , Southampton, United Kingdom. 06 Jul - 24 Aug 2021. (doi:10.5258/SOTON/P0145).

Record type: Conference or Workshop Item (Other)

Abstract

This talk forms part of the ML4MC (Machine Learning for Materials and Chemicals Series which has been organised as a joint venture between the Artificial Intelligence for Scientific Discovery Network+ (AI3SD) and the Directed Assembly Network. This series ran over summer 2021 and covers topics that encompass our overlapping Network interests of AI, Machine Learning, Artificial Photosynthesis, Biomimetic Materials, Crystal Design & Engineering, Materials, Molecules, Photochemistry, Photocatalysis and Supramolecular Chemistry. This video was the twelth talk in the ML4MC series and formed part of the session "Mentor Talks".

Video
Ml4MC-ReinhardMaurer-170821 - Version of Record
Available under License Creative Commons Attribution.
Download (238MB)

More information

Published date: 17 August 2021
Additional Information: Reinhards research focuses on the theory and simulation of molecular reactions on surfaces and in materials. Reinhard studies the structure, composition, and reactivity of molecules interacting with solid surfaces. Reinhards goal is to find a detailed understanding of the explicit molecular-level dynamics of molecular reactions as they appear in catalysis, photochemistry, and nanotechnology. Members of Reinhards research group develop and use electronic structure theory, quantum chemistry, molecular dynamics, and machine learning methods to achieve this.
Venue - Dates: Machine Learning for Materials & Chemicals Seminar Series 2021, , Southampton, United Kingdom, 2021-07-06 - 2021-08-24
Keywords: AI3SD Event, Directed Assembly, Materials, Chemicals, Machine Learning, Summer School, Training

Identifiers

Local EPrints ID: 451151
URI: http://eprints.soton.ac.uk/id/eprint/451151
PURE UUID: 3a149cd6-7ed5-405c-902a-c234a5533c12
ORCID for Samantha Kanza: ORCID iD orcid.org/0000-0002-4831-9489
ORCID for Jeremy G. Frey: ORCID iD orcid.org/0000-0003-0842-4302

Catalogue record

Date deposited: 14 Sep 2021 15:26
Last modified: 22 Oct 2021 01:55

Export record

Altmetrics

Contributors

Author: Reinhard J. Maurer
Editor: Samantha Kanza ORCID iD
Editor: Jeremy G. Frey ORCID iD

Download statistics

Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.

View more statistics

Atom RSS 1.0 RSS 2.0

Contact ePrints Soton: eprints@soton.ac.uk

ePrints Soton supports OAI 2.0 with a base URL of http://eprints.soton.ac.uk/cgi/oai2

This repository has been built using EPrints software, developed at the University of Southampton, but available to everyone to use.

We use cookies to ensure that we give you the best experience on our website. If you continue without changing your settings, we will assume that you are happy to receive cookies on the University of Southampton website.

×