A Joined-up Approach to New Molecular Simulation Technologies to Harness Ultrafast Photochemistry

Lead Research Organisation: University of Edinburgh
Department Name: Sch of Chemistry

Abstract

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Publications

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Dixit G (2021) Highlights from Faraday Discussion 228: time resolved imaging of photo-induced dynamics. in Chemical communications (Cambridge, England)

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Dixit G (2021) Preface. in Faraday discussions

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Donovan R (2022) Heavy Rydberg and ion-pair states: chemistry, spectroscopy and theory in International Reviews in Physical Chemistry

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Razmus WO (2022) Multichannel photodissociation dynamics in CS2 studied by ultrafast electron diffraction. in Physical chemistry chemical physics : PCCP

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Yong H (2021) Ultrafast X-ray scattering offers a structural view of excited-state charge transfer. in Proceedings of the National Academy of Sciences of the United States of America

 
Description New methodologies that integrate simulations of electron and nuclear dynamics for more accurate simulations of photochemical processes.
Exploitation Route Via computer codes and publications that make methodology available.
Sectors Chemicals

Digital/Communication/Information Technologies (including Software)

Education

Energy

Environment

Pharmaceuticals and Medical Biotechnology

 
Description Invited talk at AttoBattles 2023 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Important conference
Year(s) Of Engagement Activity 2023
 
Description Invited talk at Gordon Conference for Multiphoton Processes 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Important conference
Year(s) Of Engagement Activity 2022
 
Description Invited talk at Pulse Institute, Stanford University 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Invited seminar at key institute in my area of research.
Year(s) Of Engagement Activity 2023