Zobrazeno 1 - 10
of 18
pro vyhledávání: '"Raku Shirasawa"'
Publikováno v:
ACS Omega, Vol 9, Iss 8, Pp 9463-9474 (2024)
Externí odkaz:
https://doaj.org/article/2f20782690434435ba327a820a4c64c3
Publikováno v:
Communications Chemistry, Vol 5, Iss 1, Pp 1-12 (2022)
Prediction of material properties is crucial for early stages of material research, but current experimental data-based strategies possess limited accuracy. Here, the authors develop a machine learning-based semi-automated material exploration scheme
Externí odkaz:
https://doaj.org/article/3b8c2f8c26c04f87bf33f05f5d593c27
Publikováno v:
PLoS ONE, Vol 15, Iss 9, p e0239933 (2020)
Crystal structure prediction has been one of the fundamental and challenging problems in materials science. It is computationally exhaustive to identify molecular conformations and arrangements in organic molecular crystals due to complexity in intra
Externí odkaz:
https://doaj.org/article/62efeb7cf0b34d509c98197263f310c7
This study developed and implemented a semi-automatic material exploration scheme to modelize the solvent-solubility of tetraphenylporphyrin derivatives. In particular, the scheme involved the following steps: definition of a practical chemical searc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::94a088a6ed54c817bb44fe78545bafbf
https://doi.org/10.26434/chemrxiv-2022-05rf1
https://doi.org/10.26434/chemrxiv-2022-05rf1
Publikováno v:
The Journal of Physical Chemistry C. 124:2379-2387
C60 fullerene is widely used in organic devices; however, there are still unaccountable phenomena, such as the strong light absorption around 2.8 eV of C60 films and favorable device performance of...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7cbb0e068c8018adfd874094785967cc
https://doi.org/10.1021/acs.jpcc.9b10703
https://doi.org/10.1021/acs.jpcc.9b10703
Autor:
Raku Shirasawa, Kenichi Tanaka, Tomoyuki Miyao, Hiroshi Nakano, Kimito Funatsu, Shigetaka Tomiya
Publikováno v:
Chemistry Letters. 46:1482-1485
The emission peak wavelengths of Eu2+-doped inorganic phosphors have been predicted from only the stoichiometric information of the host materials. The prediction models were constructed with machine-learning technology optimized for screening inorga
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ab8f34371d9420ef523fd27d1dbfad74
https://doi.org/10.1246/cl.170611
https://doi.org/10.1246/cl.170611
Publikováno v:
Neural Information Processing ISBN: 9783030042202
ICONIP (5)
ICONIP (5)
Material search is a significant step for discovery of novel materials with desirable characteristics, which normally requires exhaustive experimental and computational efforts. For a more efficient material search, neural networks and other machine
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7b19131ddfb9bb070148cab92d3740a0
https://doi.org/10.1007/978-3-030-04221-9_3
https://doi.org/10.1007/978-3-030-04221-9_3
Publikováno v:
Japanese Journal of Applied Physics. 58:SCCB05
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aafdbe62bca96ffb6bef27868442823a
https://doi.org/10.7567/1347-4065/ab0f18
https://doi.org/10.7567/1347-4065/ab0f18
Publikováno v:
Applied Physics Letters. 111:033301
Charge transport in the mesoscale bulk heterojunctions (BHJs) of organic photovoltaic devices (OPVs) is studied using multiscale simulations in combination with molecular dynamics, the density functional theory, the molecular-level kinetic Monte Carl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0a1f5818967cde9dfcf70878c9a779e1
https://doi.org/10.1063/1.4995243
https://doi.org/10.1063/1.4995243
Autor:
Hajime Kobayashi, Shizuka Hosoi, Murakami Daisuke, Raku Shirasawa, Yoshihiro Kudo, Naoki Koshitani, Yuichi Tokita, Daisuke Hobara, Norihito Kobayashi, Masao Itabashi
Publikováno v:
The Journal of chemical physics. 139(1)
Hopping and band mobilities of holes in organic semiconductors at room temperature were estimated from first principle calculations. Relaxation times of charge carriers were evaluated using the acoustic deformation potential model. It is found that v
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d52e49f90f5d363d3040f54cc69e83ce
https://pubmed.ncbi.nlm.nih.gov/23822320
https://pubmed.ncbi.nlm.nih.gov/23822320