Mauro Boero (PhD, Professor)
Université de Strasbourg
H-index: 45
Europe-France
Top articles of Mauro Boero (PhD, Professor)
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
On the Actual Difference between the Nosé and the Nosé–Hoover Thermostats: A Critical Review of Canonical Temperature Control by Molecular Dynamics | Carlo Massobrio Irene Amiehe Essomba Mauro Boero Cheick Diarra Mohammed Guerboub | 2024/1 | |
Quantitative assessment of the structure and bonding properties of 50VxOy-50P2O5 glass by classical and Born–Oppenheimer molecular dynamics | Journal of Non-Crystalline Solids | SD Wansi Wendji C Massobrio M Boero C Tugène E Levchenko | 2024/6/15 |
Structural properties of amorphous NaOCl electrolyte by first-principles and machine learning molecular dynamics | arXiv preprint arXiv:2404.11442 | T-L Pham M Guerboub SD Wendj A Bouzid C Tugène | 2024/4/17 |
Assessing the thermal conductivity of amorphous SiN by approach-to-equilibrium molecular dynamics | The Journal of Chemical Physics | Achille Lambrecht Guido Ori Carlo Massobrio Mauro Boero Evelyne Martin | 2024 |
Structural-Stability Study of Antiperovskite for -Rich Solid Electrolyte | Physical Review Applied | Tan-Lien Pham Woon Ih Choi Aamir Shafique Hye Jung Kim Munbo Shim | 2023/3/1 |
Impact of the local atomic structure on the thermal conductivity of amorphous Ge2Sb2Te5 | The Journal of Chemical Physics | Mohammed Guerboub Steve Dave Wansi Wendji Carlo Massobrio Assil Bouzid Mauro Boero | 2023/2/28 |
Origin of Homochirality in Amino Acids Induced by Lyman-α Irradiation in the Early Stage of the Milky Way | Astrobiology | Akimasa Sato Mitsuo Shoji Natsuki Watanabe Mauro Boero Yasuteru Shigeta | 2023/10/1 |
Unveiling the structure and ion dynamics of amorphous Na 3− x OH x Cl antiperovskite electrolytes by first-principles molecular dynamics | Journal of Materials Chemistry A | Tan-Lien Pham Mohammed Guerboub Assil Bouzid Mauro Boero Carlo Massobrio | 2023 |
Organocatalytic‐racemization reaction elucidation of aspartic acid by density functional theory | Chirality | Natsuki Watanabe Yuta Hori Mitsuo Shoji Mauro Boero Yasuteru Shigeta | 2023/9 |
Exciton diffusion in poly (3-hexylthiophene) by first-principles molecular dynamics | Physical Chemistry Chemical Physics | Cheick Oumar Diarra Mauro Boero Emilie Steveler Thomas Heiser Evelyne Martin | 2023 |
Hierarchical Self-Assembly and Conformation of Tb Double-Decker Molecular Magnets: Experiment and Molecular Dynamics | Nanomaterials | Patrick Lawes Mauro Boero Rabei Barhoumi Svetlana Klyatskaya Mario Ruben | 2023/8/1 |
Enantioselective amino acid interactions in solution | Physical Chemistry Chemical Physics | Natsuki Watanabe Mitsuo Shoji Koichi Miyagawa Yuta Hori Mauro Boero | 2023 |
Enantiomeric excesses of aminonitrile precursors determine the homochirality of amino acids | The Journal of Physical Chemistry Letters | Mitsuo Shoji Yuya Kitazawa Akimasa Sato Natsuki Watanabe Mauro Boero | 2023/3/28 |
Thermal conductivity of amorphous SiO2 by first-principles molecular dynamics | Journal of Non-Crystalline Solids | Evelyne Martin Guido Ori Thuy-Quynh Duong Mauro Boero Carlo Massobrio | 2022/4/1 |
Structural, hydrogen bonding and dipolar properties of alkyl imidazolium-based ionic liquids: a classical and first-principles molecular dynamics study | arXiv preprint arXiv:2211.13385 | Irene Amiehe Essomba Mauro Boero Kerstin Falk Guido Ori | 2022/11/24 |
Molecular mechanism of a large conformational change of the quinone cofactor in the semiquinone intermediate of bacterial copper amine oxidase | Chemical Science | Mitsuo Shoji Takeshi Murakawa Shota Nakanishi Mauro Boero Yasuteru Shigeta | 2022 |
An atomistic insight into reactions and free-energy profiles of NH3 and Ga on GaN surfaces during the epitaxial growth | Applied Surface Science | Mauro Boero Kieu My Bui Kenji Shiraishi Kana Ishisone Yoshihiro Kangawa | 2022/10/15 |
Structural, dynamical, and electronic properties of the ionic liquid 1-ethyl-3-methylimidazolium bis (trifluoromethylsulfonyl) imide | The Journal of Physical Chemistry B | Francesco Ambrosio Giacomo Miceli Alfredo Pasquarello | 2016/8/4 |
Atomistic insight into the initial stage of graphene formation on SiC (0001) surfaces | Physical Review Materials | Mauro Boero Fumihiro Imoto Atsushi Oshiyama | 2022/9/30 |
Comprehensive search of stable isomers of alanine and alanine precursors in prebiotic syntheses | Astrobiology | Mitsuo Shoji Natsuki Watanabe Yuta Hori Kenji Furuya Masayuki Umemura | 2022/9/1 |
Co-Authors
