Zobrazeno 1 - 7
of 7
pro vyhledávání: '"David H. P. Turban"'
Autor:
Christoph Schnedermann, Antonios M. Alvertis, Torsten Wende, Steven Lukman, Jiaqi Feng, Florian A. Y. N. Schröder, David H. P. Turban, Jishan Wu, Nicholas D. M. Hine, Neil C. Greenham, Alex W. Chin, Akshay Rao, Philipp Kukura, Andrew J. Musser
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-11 (2019)
Ultrafast photo-induced processes in complex systems require theoretical models and their experimental validation which are still lacking. Here the authors investigate singlet fission in a pentacene dimer by a combined experimental and theoretical ap
Externí odkaz:
https://doaj.org/article/91ade0804550473f83704827280ca13a
Autor:
Florian A. Y. N. Schröder, David H. P. Turban, Andrew J. Musser, Nicholas D. M. Hine, Alex W. Chin
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-10 (2019)
Simulating ultrafast quantum dissipation in molecular excited states is a strongly demanding computational task. Here, the authors combine tensor network simulation, entanglement renormalisation and machine learning to simulate linear vibronic models
Externí odkaz:
https://doaj.org/article/d3bfe9f28a474dacaa1376b861424f7e
Autor:
Steven Lukman, Kai Chen, Justin M. Hodgkiss, David H. P. Turban, Nicholas D. M. Hine, Shaoqiang Dong, Jishan Wu, Neil C. Greenham, Andrew J. Musser
Publikováno v:
Nature Communications, Vol 7, Iss 1, Pp 1-13 (2016)
The understanding of how a singlet exciton separates into triplet states in organic semiconductors is crucial to the design of efficient organic solar cells. Here, Lukmanet al. identify the role played by charge-transfer states during triplet formati
Externí odkaz:
https://doaj.org/article/735cefa1b8c34c43afa8e2f0ae465424
Autor:
James Kirkpatrick, Brendan McMorrow, David H. P. Turban, Alexander L. Gaunt, James S. Spencer, Alexander G. D. G. Matthews, Annette Obika, Louis Thiry, Meire Fortunato, David Pfau, Lara Román Castellanos, Stig Petersen, Alexander W. R. Nelson, Pushmeet Kohli, Paula Mori-Sánchez, Demis Hassabis, Aron J. Cohen
Publikováno v:
Science. 377
Gerasimov et al . claim that the ability of DM21 to respect fractional charge (FC) and fractional spin (FS) conditions outside of the training set has not been demonstrated in our paper. This is based on (i) asserting that the training set has a ~50%
Autor:
James Kirkpatrick, Brendan McMorrow, David H. P. Turban, Alexander L. Gaunt, James S. Spencer, Alexander G. D. G. Matthews, Annette Obika, Louis Thiry, Meire Fortunato, David Pfau, Lara Román Castellanos, Stig Petersen, Alexander W. R. Nelson, Pushmeet Kohli, Paula Mori-Sánchez, Demis Hassabis, Aron J. Cohen
Publikováno v:
Science (New York, N.Y.). 374(6573)
Improving DFT with deep learning In the past 30 years, density functional theory (DFT) has emerged as the most widely used electronic structure method to predict the properties of various systems in chemistry, biology, and materials science. Despite
Autor:
Neil C. Greenham, Andrew J. Musser, Antonios M. Alvertis, Florian A. Y. N. Schröder, Jishan Wu, Philipp Kukura, Steven Lukman, Jiaqi Feng, Christoph Schnedermann, Alex W. Chin, David H. P. Turban, Nicholas D. M. Hine, Torsten Wende, Akshay Rao
Publikováno v:
Nature Communications
Nature Communications, Vol 10, Iss 1, Pp 1-11 (2019)
Nature Communications, Nature Publishing Group, 2019, 10 (1), ⟨10.1038/s41467-019-12220-7⟩
Nature Communications, Vol 10, Iss 1, Pp 1-11 (2019)
Nature Communications, Nature Publishing Group, 2019, 10 (1), ⟨10.1038/s41467-019-12220-7⟩
The complex dynamics of ultrafast photoinduced reactions are governed by their evolution along vibronically coupled potential energy surfaces. It is now often possible to identify such processes, but a detailed depiction of the crucial nuclear degree
Publikováno v:
PHYSICAL REVIEW B
Singlet fission (SF) is a multi-exciton generation process that could be harnessed to improve the efficiency of photovoltaic devices. Experimentally, systems derived from the pentacene molecule have been shown to exhibit ultrafast SF with high yields
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c9762c108e71e9f84a224714ab70d243
http://livrepository.liverpool.ac.uk/3000229/1/1603.02174v2.pdf
http://livrepository.liverpool.ac.uk/3000229/1/1603.02174v2.pdf