CONEXS: COllaborative NEtwork for X-ray Spectroscopy
CONEXS: COllaborative NEtwork for X-ray Spectroscopy
批准号:
EP/S022058/1
负责人:
Thomas Penfold
金额:
$13.13万
依托单位:
依托单位国家:
英国
项目类别:
Research Grant
财政年份:
2019
资助国家:
英国
项目状态:
已结题
起止时间:
2019 至 --
中文摘要
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英文摘要
Scientific breakthroughs are strongly associated with technological developments, which enable the measurement of matter to an increased level of detail. A prime example of this is the development of femtosecond lasers, which opened up the field of ultrafast spectroscopy. This had a huge impact on our understanding of chemical reactions, biological functions and phase transitions in materials owing to their ability to probe, in real-time, the nuclear motion within these different types of systems. A modern revolution is underway in X-ray science with the emergence of tools capable of delivering high-brilliance ultrashort pulses of X-rays. The UK, through the Diamond Light source, investment into the European X-FEL and world-leading research groups are at the forefront of these experimental endeavors. Crucially, the complicated nature and high information context of X-ray spectroscopic observables means that a strong synergy between experiment and theory is required. However, despite the development of new theoretical methods, the exploitation of the high level methods remains relatively uncommon resulting in the full potential of the experiments not being realised. This status-quo is unacceptable, and overcoming it is one of the primary objectives of the COllaborative NEtwork for X-ray Spectroscopy (CONEXS), which will bring together experimentalists and theoreticians working in this area to achieve new levels of understanding. From the perspective of the computational community, direct engagement with experimentalists can highlight theoretical challenges and act as a catalyst for the development of new methods. From the experimental community, direct engagement with theoreticians will provide expertise in the new theoretical developments providing new opportunities for data analysis.
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DOI:
10.1080/00268976.2022.2123406
发表时间:
2022-09
期刊:
Molecular Physics
影响因子:
1.7
作者:
[T. Penfold;C. Rankine]
通讯作者:
T. Penfold;C. Rankine
DOI:
10.1039/c9cp03019k
发表时间:
2020-02
期刊:
Physical chemistry chemical physics : PCCP
影响因子:
--
作者:
[T. Northey;J. Norell;A. Fouda;N. Besley;M. Odelius;Thomas J Penfold]
通讯作者:
T. Northey;J. Norell;A. Fouda;N. Besley;M. Odelius;Thomas J Penfold
DOI:
10.3390/molecules25112715
发表时间:
2020-06
期刊:
Molecules
影响因子:
4.6
作者:
[Marwah M M Madkhali-Marwah-M-M-Madkhali-93008847;C. Rankine;T. Penfold]
通讯作者:
Marwah M M Madkhali-Marwah-M-M-Madkhali-93008847;C. Rankine;T. Penfold
DOI:
10.1016/j.cplett.2021.138893
发表时间:
2021-07-29
期刊:
CHEMICAL PHYSICS LETTERS
影响因子:
2.8
作者:
[Falbo, E., Rankine, C. D., Penfold, T. J.]
通讯作者:
Penfold, T. J.
UK High-End Computing Consortium for X-ray Spectroscopy (HPC-CONEXS)
-
批准号:EP/X035514/1
-
项目类别:Research Grant
-
资助金额:$47.38万
-
财政年份:2023
-
负责人:Thomas Penfold
-
依托单位:
Deep Neural Networks for Real-Time Spectroscopic Analysis
-
批准号:EP/W008009/1
-
项目类别:Fellowship
-
资助金额:$146.4万
-
财政年份:2022
-
负责人:Thomas Penfold
-
依托单位:
rISC - the game of strategic molecular design for high efficiency OLEDs
-
批准号:EP/T022442/1
-
项目类别:Research Grant
-
资助金额:$44.77万
-
财政年份:2020
-
负责人:Thomas Penfold
-
依托单位:
Understanding and Design Beyond Born-Oppenheimer using Time-Domain Vibrational Spectroscopy
-
批准号:EP/P012388/1
-
项目类别:Research Grant
-
资助金额:$32.93万
-
财政年份:2017
-
负责人:Thomas Penfold
-
依托单位:
The Excited State Properties of Thermally Activated Delayed Fluorescence Emitters: A Computational Study Towards Molecular Design
-
批准号:EP/N028511/1
-
项目类别:Research Grant
-
资助金额:$10.97万
-
财政年份:2016
-
负责人:Thomas Penfold
-
依托单位:
海外基金