Skip to main content

A Multiple-Scattering Computing Platform For (Nano) Materials


Nanoclusters Synthesized by Synchrotron Radiolysis in Concert with Wet Chemistry

Author(s): Zhihu Sun; Zhihu Sun; Keisuke Hatada; Hideaki Maeda; Hideaki Maeda; Yuuichi Orimoto; Yuuichi Orimoto; Hiroyuki Oyanagi; A. Fukano; Kenichi Yamashita; Kuniko Hayakawa; Masato Uehara; Hiroyuki Nakamura; Ling Zhang
Published in: Nature Publishing Group 2014
Permanent ID: PubMed Central ID:PMC4244621; PubMed ID:25425181; Digital Object Identifier:10.1038/srep07199

Phonon effects on X-ray absorption and X-ray photoemission spectra

Author(s): Didier Sébilleau; Kaori Niki; Takashi Fujikawa; Hiroto Sakuma
Published in: HAL CCSD 2014
Permanent ID: Digital Object Identifier:10.1016/j.elspec.2014.12.002

Interplay of electron heating and saturable absorption in ultrafast extreme ultraviolet transmission of condensed matter

Author(s): Andrea Di Cicco; Emiliano Principi; Roberto Gunnella; Keisuke Hatada; Keisuke Hatada; Claudio Masciovecchio; Adriano Filipponi; Filippo Bencivenga; Erika Giangrisostomi
Published in: American Physical Society (APS) 2014
Permanent ID: Digital Object Identifier:10.1103/physrevb.90.220303

New Graphical User Interface for EXAFS analysis with the GNXAS suite of programs

Author(s): Keisuke Hatada; Keisuke Hatada; Marco Minicucci; Leonardo Properzi; F. Iesari; Andrea Di Cicco
Published in: IOP Publishing 2015
Permanent ID: Digital Object Identifier:10.1088/1742-6596/712/1/012002

New Insight into the Local Structure of Hydrous Ferric Arsenate Using Full-Potential Multiple Scattering Analysis, Density Functional Theory Calculations, and Vibrational Spectroscopy

Author(s): Shaofeng Wang; Jia Yongfeng; Xu Ma; Keisuke Hatada; Guoqing Zhang
Published in: HAL CCSD ISSN: 0013-936X 2016
Permanent ID: Digital Object Identifier:10.1021/acs.est.6b02703

X-ray absorption spectra of graphene and graphene oxide by full-potential multiple scattering calculations with self-consistent charge density

Author(s): Kuniko Hayakawa; Keisuke Hatada; Keisuke Hatada; Junqing Xu; Peter Krüger; Ziyu Wu; Calogero R. Natoli
Published in: HAL CCSD 2015
Permanent ID: Digital Object Identifier:10.1103/physrevb.92.125408

An efficient Multiple Scattering method based on partitioning of scattering matrix by angular momentum and approximations of matrix elements

Author(s): Xu, Junqing; Hatada, Keisuke; Sébilleau, Didier; Song, Li
Permanent ID: arXiv:1604.04846

ES2MS: An interface package for passing self-consistent charge density and potential from Electronic Structure codes To Multiple Scattering codes

Author(s): Didier Sébilleau; Kuniko Hayakawa; Li Song; Keisuke Hatada; Keisuke Hatada; Calogero R. Natoli; Junqing Xu; Peter Krüger
Published in: Elsevier BV Computer Physics Communications, Elsevier, 2016, 203, pp.331-338. ⟨10.1016/j.cpc.2016.02.031⟩ 2016
Permanent ID: Digital Object Identifier:10.1016/j.cpc.2016.02.031

Layer-resolved study of Mg atom incorporation at the MgO/Ag(001) buried interface.

Author(s): B. Lépine; Gabriel Delhaye; Didier Sébilleau; Philippe Schieffer; Guy Jézéquel; Sylvain Tricot; Thomas Jaouen
Published in: HAL CCSD EISSN: 1079-7114 2013
Permanent ID: Digital Object Identifier:10.1103/physrevlett.111.027601; arXiv:1306.6158

Induced work function changes at Mg-doped MgO/Ag(001) interfaces: Combined Auger electron diffraction and density functional study

Author(s): Didier Sébilleau; Bruno Lépine; Guy Jézéquel; Philippe Schieffer; Sylvain Tricot; Philipp Aebi; Thomas Jaouen; Gabriel Delhaye
Permanent ID: arXiv:1411.6905; Digital Object Identifier:10.1103/physrevb.90.125433