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.
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Kanza, Samantha
b73bcf34-3ff8-4691-bd09-aa657dcff420
Frey, Jeremy G.
ba60c559-c4af-44f1-87e6-ce69819bf23f
17 August 2021
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
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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
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Date deposited: 14 Sep 2021 15:26
Last modified: 17 Mar 2024 03:51
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Author:
Reinhard J. Maurer
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