Mauro Boero

ResearcherID Scopus Author ID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 27

Top Venues

Molecules (Basel, Switzerland)

Physical chemistry chemical physics : PCCP

Chirality

The Journal of chemical physics

Nagoya University

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Nagoya University Nov 01 2018

Japan

Professor (full) :: Institute of Materials and Systems for Sustainability - Oshiyama-Shiraishi Group

CNRS Délégation Alsace - University of Strasbourg UMR 7504 Jan 01 2009

France

Research Director / Professor :: Institut de Physique et Chimie des Materiaux de Strasbourg (IPCMS)

Computational Materials Science Initiative (CMSI) - The University of Tokyo Mar 01 2010 - Mar 31 2018

Japan

Invited Professor :: initiative.jp/ja/research-results/Group2kadai1; Dept. of Applied Physics, Oshiyama Atsushi Group

Japan Advanced Institute of Science and Technolgoy (JAIST) Apr 01 2009 - Mar 31 2012

Japan

Invited full professor :: Terakura Group

University of Tsukuba Sep 01 2002 - Dec 31 2008

Japan

Associate Professor :: Center for Computational Sciences (CCS)

National Institute of Advanced Science and Technology (AIST) May 01 1998 - Aug 31 2002

Japan

NEDO Fellow :: Joint Research Center for Atom Technology 8JRCAT)

Max-Planck-Institut fur Festkoerperforschung May 01 1996 - Apr 30 1998

Germany

Post-doc :: Abteiliung Parrinello

IBM Zurich Research Laboratory Aug 01 1995 - Apr 30 1996

Switzerland

Post-doc :: Computational Group (W. Andreoni)

Ecole Polytechnique Federale de Lausanne IRRMA Jan 01 1995 - Jul 31 1995

Switzerland

Post-doc :: Institut Romand de Recherche Numerique en Physique des Materiaux (IRRMA)

Publications

Natsuki Watanabe, Yuta Hori, Mitsuo Shoji, Mauro Boero, Yasuteru Shigeta
Organocatalytic-racemization reaction elucidation of aspartic acid by density functional theory. Chirality (2023)
Mitsuo Shoji, Yuya Kitazawa, Akimasa Sato, Natsuki Watanabe, Mauro Boero, Yasuteru Shigeta, Masayuki Umemura
Enantiomeric Excesses of Aminonitrile Precursors Determine the Homochirality of Amino Acids. The journal of physical chemistry letters (2023)
Akimasa Sato, Mitsuo Shoji, Natsuki Watanabe, Mauro Boero, Yasuteru Shigeta, Masayuki Umemura
Origin of Homochirality in Amino Acids Induced by Lyman-α Irradiation in the Early Stage of the Milky Way. Astrobiology (2023)
Natsuki Watanabe, Yuta Hori, Mitsuo Shoji, Mauro Boero, Yasuteru Shigeta
Organocatalytic-racemization reaction elucidation of aspartic acid by density functional theory. Chirality (2023)
Patrick Lawes, Mauro Boero, Rabei Barhoumi, Svetlana Klyatskaya, Mario Ruben, Jean-Pierre Bucher
Hierarchical Self-Assembly and Conformation of Tb Double-Decker Molecular Magnets: Experiment and Molecular Dynamics. Nanomaterials (Basel, Switzerland) 13 (15) (2023)
Cheick Oumar Diarra, Mauro Boero, Emilie Steveler, Thomas Heiser, Evelyne Martin
Exciton diffusion in poly(3-hexylthiophene) by first-principles molecular dynamics. Physical chemistry chemical physics : PCCP (2023)
Natsuki Watanabe, Mitsuo Shoji, Koichi Miyagawa, Yuta Hori, Mauro Boero, Masayuki Umemura, Yasuteru Shigeta
Enantioselective amino acid interactions in solution. Physical chemistry chemical physics : PCCP (2023)
Mohammed Guerboub, Steve Dave Wansi Wendji, Carlo Massobrio, Assil Bouzid, Mauro Boero, Guido Ori, Evelyne Martin
Impact of the local atomic structure on the thermal conductivity of amorphous Ge 2 Sb 2 Te 5 . The Journal of chemical physics 158 (8) (2023)
Evelyne Martin, Iréné Bérenger Amiehe Essomba, Kana Ishisone, Mauro Boero, Guido Ori, Carlo Massobrio
Impact of Dispersion Force Schemes on Liquid Systems: Comparing Efficiency and Drawbacks for Well-Targeted Test Cases. Molecules (Basel, Switzerland) 27 (24) (2022)
Mitsuo Shoji, Takeshi Murakawa, Shota Nakanishi, Mauro Boero, Yasuteru Shigeta, Hideyuki Hayashi, Toshihide Okajima
Molecular mechanism of a large conformational change of the quinone cofactor in the semiquinone intermediate of bacterial copper amine oxidase. Chemical science 13 (36) (2022)
Mitsuo Shoji, Natsuki Watanabe, Yuta Hori, Kenji Furuya, Masayuki Umemura, Mauro Boero, Yasuteru Shigeta
Comprehensive Search of Stable Isomers of Alanine and Alanine Precursors in Prebiotic Syntheses. Astrobiology 22 (9) (2022)
Kana Ishisone, Guido Ori, Mauro Boero
Structural, dynamical, and electronic properties of the ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide. Physical chemistry chemical physics : PCCP 24 (16) (2022)
Evelyne Martin, Iréné Bérenger Amiehe Essomba, Kana Ishisone, Mauro Boero, Guido Ori, Carlo Massobrio
Impact of Dispersion Force Schemes on Liquid Systems: Comparing Efficiency and Drawbacks for Well-Targeted Test Cases. Molecules (Basel, Switzerland) 27 (24) (2022)
Evelyne Martin, Iréné Bérenger Amiehe Essomba, Kana Ishisone, Mauro Boero, Guido Ori, Carlo Massobrio
Impact of Dispersion Force Schemes on Liquid Systems: Comparing Efficiency and Drawbacks for Well-Targeted Test Cases. Molecules (Basel, Switzerland) 27 (24) (2022)
Evelyne Martin, Iréné Bérenger Amiehe Essomba, Kana Ishisone, Mauro Boero, Guido Ori, Carlo Massobrio
Impact of Dispersion Force Schemes on Liquid Systems: Comparing Efficiency and Drawbacks for Well-Targeted Test Cases. Molecules (Basel, Switzerland) 27 (24) (2022)
Fabio Pietrucci, Mauro Boero, Wanda Andreoni
How natural materials remove heavy metals from water: mechanistic insights from molecular dynamics simulations. Chemical science 12 (8) (2021)
Thuy-Quynh Duong, Assil Bouzid, Carlo Massobrio, Guido Ori, Mauro Boero, Evelyne Martin
First-principles thermal transport in amorphous Ge 2 Sb 2 Te 5 at the nanoscale. RSC advances 11 (18) (2021)
Mitsuo Shoji, Takeshi Murakawa, Mauro Boero, Yasuteru Shigeta, Hideyuki Hayashi, Toshihide Okajima
Unique protonation states of aspartate and topaquinone in the active site of copper amine oxidase. RSC advances 10 (63) (2020)
Pier Luigi Silvestrelli, Evelyne Martin, Mauro Boero, Assil Bouzid, Guido Ori, Carlo Massobrio
Atomic Structure of Glassy GeTe4 as a Playground to Assess the Performances of Density Functional Schemes Accounting for Dispersion Forces. The journal of physical chemistry. B 124 (49) (2020)
Rouzhaji Tuerhong, Mauro Boero, Jean-Pierre Bucher
Molecular attachment to a microscope tip: inelastic tunneling, Kondo screening, and thermopower. Beilstein journal of nanotechnology 10 (2019)
Makoto Hatakeyama, Kenichi Koizumi, Mauro Boero, Katsuyuki Nobusada, Hirokazu Hori, Taku Misonou, Takao Kobayashi, Shinichiro Nakamura
Unique Structural Relaxations and Molecular Conformations of Porphyra-334 at the Excited State. The journal of physical chemistry. B 123 (36) (2019)
Rabei Barhoumi, Anis Amokrane, Svetlana Klyatskaya, Mauro Boero, Manfred M Kappes, Jean-Pierre Bucher
Screening the 4f-electron spin of TbPc2 single-molecule magnets on metal substrates by ligand channeling. Nanoscale 11 (44) (2019)
Evelyne Lampin, Assil Bouzid, Guido Ori, Mauro Boero, Carlo Massobrio
Impact of dispersion forces on the atomic structure of a prototypical network-forming disordered system: The case of liquid GeSe2. The Journal of chemical physics 147 (4) (2018)
Kenichi Koizumi, Katsuyuki Nobusada, Mauro Boero
An atomic-level insight into the basic mechanism responsible for the enhancement of the catalytic oxidation of carbon monoxide on a Cu/CeO2 surface. Physical chemistry chemical physics : PCCP 19 (5) (2018)
Wenting Cai, Laura Abella, Jiaxin Zhuang, Xingxing Zhang, Lai Feng, Yaofeng Wang, Roser Morales-Martínez, Ronda Esper, Mauro Boero, Alejandro Metta-Magaña, Antonio Rodriguez-Fortea, Josep-Maria Poblet, Luis A Echegoyen, Ning Chen
Synthesis and Characterization of Non-Isolated-Pentagon-Rule Actinide Endohedral Metallofullerenes U@ C1(17418)-C76, U@ C1(28324)-C80, and Th@ C1(28324)-C80: Low-Symmetry Cage Selection Directed by a Tetravalent Ion. Journal of the American Chemical Society 140 (51) (2018)
Burak Özdamar, Assil Bouzid, Guido Ori, Carlo Massobrio, Mauro Boero
First-Principles Study of Dissociation Processes for the Synthesis of Fe and Co Oxide Nanoparticles. Journal of chemical theory and computation 14 (1) (2017)
Anis Amokrane, Svetlana Klyatskaya, Mauro Boero, Manfred M Kappes, Jean-Pierre Bucher
Role of π-Radicals in the Spin Connectivity of Clusters and Networks of Tb Double-Decker Single Molecule Magnets. ACS nano 11 (11) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Mauro Boero