Zobrazeno 1 - 10
of 276
pro vyhledávání: '"Sergei, Manzhos"'
Publikováno v:
Artificial Intelligence Chemistry, Vol 1, Iss 2, Pp 100008- (2023)
Machine learning (ML) techniques are already widely and increasingly used in diverse applications in science and technology, including computational chemistry. Specifically in computational chemistry, neural networks (NN) and kernel methods such as G
Externí odkaz:
https://doaj.org/article/884d25d534b744218733a60d370b30a6
Autor:
Sergei Manzhos, Manabu Ihara
Publikováno v:
Artificial Intelligence Chemistry, Vol 1, Iss 2, Pp 100013- (2023)
Orders-of-coupling representations (representations of multivariate functions with low-dimensional functions that depend on subsets of original coordinates corresponding to different orders of coupling) are useful in many applications, for example, i
Externí odkaz:
https://doaj.org/article/83b49e6c04b7420fbe1a226dad1cfb4f
Publikováno v:
Physchem, Vol 4, Iss 1, Pp 1-2 (2023)
Two years ago, PhysChem was launched as a new physical chemistry journal publishing original research articles, reviews and perspectives, and communications focusing on physics-based description of chemical phenomena and their applications [...]
Externí odkaz:
https://doaj.org/article/5c89108732d84fb7a54fce1c85b53292
Autor:
Sergei Manzhos, Manabu Ihara
Publikováno v:
Machine Learning with Applications, Vol 13, Iss , Pp 100487- (2023)
Gaussian process regression (GPR) is a powerful machine learning method which has recently enjoyed wider use, in particular in physical sciences. In its original formulation, GPR uses a square matrix of covariances among training data and can be view
Externí odkaz:
https://doaj.org/article/d01ad87bf2f44678a87f3eaae996b5f2
Autor:
Sergei Manzhos, Manabu Ihara
Publikováno v:
Physchem, Vol 2, Iss 2, Pp 72-95 (2022)
Machine learning (ML) has found increasing use in physical sciences, including research on energy conversion and storage technologies, in particular, so-called sustainable technologies. While often ML is used to directly optimize the parameters or ph
Externí odkaz:
https://doaj.org/article/16dc0cfb8032447abb53ce930419382f
Publikováno v:
Communications Chemistry, Vol 4, Iss 1, Pp 1-8 (2021)
Fullerenes are intrinsically electron deficient species which can facilitate challenging transformations in organic chemistry. Here fullerene-fused alkoxy ethers are shown to undergo copper-promoted oxidation by single electron transfer to the corres
Externí odkaz:
https://doaj.org/article/1a3cfcb969b44daf9513b22ed695c682
Publikováno v:
Frontiers in Materials, Vol 8 (2021)
Natural diamond tools experience wear during cutting of steel. As reported in our previous work, Ga doping of diamond has an effect on suppressing graphitization of diamond which is a major route of wear. We investigate interstitial and substitutiona
Externí odkaz:
https://doaj.org/article/51634254f7614e198093c9daa59df263
Publikováno v:
Physchem, Vol 2, Iss 1, Pp 16-17 (2022)
We begin with passing on our very best wishes to the community for a healthy and prosperous 2022 [...]
Externí odkaz:
https://doaj.org/article/417730ec551044e4ae32d23edcef1a8d
Publikováno v:
Journal of Chemical Theory and Computation. 19:1641-1656
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::831986b1f861c76261a2d93d56b52450
https://doi.org/10.1021/acs.jctc.2c01232
https://doi.org/10.1021/acs.jctc.2c01232
Publikováno v:
Advances in Physics: X, Vol 6, Iss 1 (2021)
Plasmonic particles and nanostructures are widely used in photovoltaic and photonics. Surface plasmons were found to enhance different types of solar cells including plasmonic DSSCs, plasmonic solid semiconductor solar cells, plasmonic organic solar
Externí odkaz:
https://doaj.org/article/8b476a40a63a44389efeee147dcea6bf