Zobrazeno 1 - 10
of 34
pro vyhledávání: '"Lucian Anton"'
Autor:
Sanda Voinea, Adriana Balan, Morgan Greene, Jacob Kaminski, Laurentiu-Lucian Anton, Juliet Newson, Bogdan Dobrica
Publikováno v:
INTED2023 Proceedings.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f40898685fd7ac6354ed929e085ddd94
https://doi.org/10.21125/inted.2023.1103
https://doi.org/10.21125/inted.2023.1103
Autor:
James C. Womack, Chao Peng, Denis Kramer, Arihant Bhandari, Lucian Anton, Jacek Dziedzic, Marjan Famili, Chris-Kriton Skylaris
Publikováno v:
The Journal of Physical Chemistry C. 124:7860-7872
We present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3721401781c3aeed7e36267f4f4eb08f
https://doi.org/10.1021/acs.jpcc.0c00762
https://doi.org/10.1021/acs.jpcc.0c00762
Autor:
Chao Peng, Denis Kramer, Jacek Dziedzic, John Owen, Arihant Bhandari, Lucian Anton, Chris-Kriton Skylaris
Progress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can be
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6cac42211a16e10a5ccf88e28007d498
https://eprints.soton.ac.uk/451045/
https://eprints.soton.ac.uk/451045/
This monograph focuses on changing electric energy systems and shows how today's operating and planning practices can be enhanced by relying on data-enabled predictions and decision-making software. In particular, this monograph describes how one can
Autor:
Chao Peng, Arihant Bhandari, Denis Kramer, Chris-Kriton Skylaris, Lucian Anton, Jacek Dziedzic
Density functional theory (DFT) is often used for simulating extended materials such as infinite crystals or surfaces, under periodic boundary conditions (PBCs). In such calculations, when the simulation cell has non-zero charge, electrical neutralit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f8e64d6d94988f724f08e80771330e8
https://doi.org/10.26434/chemrxiv.12623885
https://doi.org/10.26434/chemrxiv.12623885
Publikováno v:
2020 13th International Conference on Communications (COMM).
In the last years ultra wide band (UWB) signals have more and more applications, including radar sensors. These systems need an antenna as an interface with the propagation media. The paper refers to an UWB antenna employed for a radar sensor used fo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ba29cf9aba17285a43a2340a5b293a2b
https://doi.org/10.1109/comm48946.2020.9141985
https://doi.org/10.1109/comm48946.2020.9141985
Autor:
Jacek Dziedzic, Chris-Kriton Skylaris, Chao Peng, Denis Kramer, Lucian Anton, famili m, Arihant Bhandari, James C. Womack
We present the implementation of a hybrid continuum-atomistic model for including the effects of surrounding electrolyte in large-scale density functional theory (DFT) calculations within the ONETEP linear-scaling DFT code, which allows the simulatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::16c6a32a39be60e8a270c32e64e8424d
https://doi.org/10.26434/chemrxiv.11743071
https://doi.org/10.26434/chemrxiv.11743071
Autor:
Kevin Kelsey Brian Duff, Joseph C. A. Prentice, Mike C. Payne, Maximillian J. S. Phipps, Jolyon Aarons, Tim J. Zuehlsdorff, Arash A. Mostofi, Lampros Andrinopoulos, José María Escartín, Simon M-M Dubois, Jacek Dziedzic, Louis P. Lee, Robert J. Charlton, Arihant Bhandari, Nicholas D. M. Hine, Laura E. Ratcliff, Álvaro Ruiz Serrano, Quintin Hill, James C. Womack, Gabriel C. Constantinescu, Peter D. Haynes, Lucian Anton, Rebecca J. Clements, Valerio Vitale, Chris-Kriton Skylaris, David D. O'Regan, Robert A. Bell, Edward Linscott, Alice E. A. Allen, Gabriel Bramley, Fabiano Corsetti, Daniel J. Cole, Gilberto Teobaldi, Andrea Greco, Nelson Yeung, Edward Tait
Publikováno v:
The Journal of Chemical Physics, Vol. 152, no.17, p. 174111 (2020)
174111-36
174111-1
174111-36
174111-1
We present an overview of the onetep program for linear-scaling density functional theory (DFT) calculations with large basis set (plane-wave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed fr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dc239c6f6a17659e732f6009c2745c27
https://hdl.handle.net/2078.1/240283
https://hdl.handle.net/2078.1/240283
Publikováno v:
2018 International Conference on Communications (COMM).
The employment of infinite array element's active admittance properties in order to calculate the parameters of a finite array was proposed in a paper by Roscoe [1]. The authors of this communication employ that approach and the data obtained by mode
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7128bc3ebd260e3875c756665e03287d
https://doi.org/10.1109/iccomm.2018.8453645
https://doi.org/10.1109/iccomm.2018.8453645
Autor:
Jacek Dziedzic, P. J. Hasnip, Chris-Kriton Skylaris, Lucian Anton, James C. Womack, Matt Probert
Publikováno v:
Journal of chemical theory and computation. 14(3)
The solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential—a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in comput
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::df8b3ceb80dbbd96b35059d39c1ea1ae
https://pubmed.ncbi.nlm.nih.gov/29447447
https://pubmed.ncbi.nlm.nih.gov/29447447