M. Micoulaut

Centre National de la Recherche Scientifique — France

Materials Science · Physical Sciences

42h-index5.1kcitations248works2.82yr avg

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Research Topics

Phase-change materials and chalcogenides(140), Glass properties and applications(139), Material Dynamics and Properties(97), Solid-state spectroscopy and crystallography(30), Theoretical and Computational Physics(20)

Publications248 total

Theoretical Aspects of Topology and Successful Applications to Glasses and Proteins

International Journal of Topology·2025Open Access

Establishement of generalized empirical force-fields for sulfide glasses and crystals used as superionic electrolytes in all-solid-state batteries

Journal of Non-Crystalline Solids·2025

Experimental and theoretical characterization of the prototypical <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Na</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi mathvariant="normal">S</mml:mi><mml:mtext>−</mml:mtext><mml:msub><mml:mi>SiS</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math> electrolyte glass: Conductivity enhancement is driven by network depolymerization

Physical review. B./Physical review. B·2025

Intrinsic limitation of conductivity in depolymerized sodium-ion glassy networks

1 cited

Solid State Ionics·2025· 1 cited

Intrinsic Limitation of Conductivity in Depolymerized Sodium-ion Glassy Networks

arXiv (Cornell University)·2025Open Access

Ionic Conductivity in Disordered Media: Molecular Flexibility as a New Paradigm to Enhance Ion Motion in Glassy Electrolytes

5 cited

Physical Review Letters·2025· 5 cited

Balancing fracture toughness and ionic conductivity in lithium thiosilicate glassy electrolytes

2 cited

Physical Chemistry Chemical Physics·2025· 2 cited

Short‐range order and topology of Te‐rich amorphous Ge–Sb–Te alloys

3 cited

Journal of the American Ceramic Society·2024· 3 citedOpen Access

First-principles description of solid oxygen in the gigapascal pressure scale using the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi mathvariant="normal">DFT</mml:mi><mml:mo>+</mml:mo><mml:mi mathvariant="normal">vdW</mml:mi><mml:mo>+</mml:mo><mml:mi mathvariant="normal">U</mml:mi></mml:math> approach

2 cited

Physical review. B./Physical review. B·2024· 2 cited

Compressibility, diffusivity, and elasticity in relationship with ionic conduction: An atomic scale description of densified Li2S${\rm Li}_2{\rm S}$–SiS2${\rm SiS}_2$ glasses

5 cited

Journal of the American Ceramic Society·2024· 5 cited

Molecular dynamics simulations of SiS<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si68.svg" display="inline" id="d1e1068"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>-Li<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si68.svg" display="inline" id="d1e1076"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>S-LiI fast ion glasses: Increase of conductivity is driven by network atoms

4 cited

Journal of Non-Crystalline Solids·2024· 4 cited

Author response for "EGraFFBench: evaluation of equivariant graph neural network force fields for atomistic simulations"

2024

Explaining an anomalous pressure dependence of shear modulus in germanate glasses based on Reverse Monte Carlo modelling

1 cited

Journal of Material Science and Technology·2024· 1 citedOpen Access

Pockets, jumps and filaments: classifying ionic motion and determining the role of structure in electrochemical properties of 2Li<sub>2</sub>S-GeS<sub>2</sub> superionic glasses

2 cited

Journal of Physics Condensed Matter·2024· 2 citedOpen Access

Understanding fracture and dynamics in glassy solid state electrolytes

VBN Forskningsportal (Aalborg Universitet)·2024Open Access

EGraFFBench: evaluation of equivariant graph neural network force fields for atomistic simulations

19 cited

Digital Discovery·2024· 19 citedOpen Access

Impact of structural short‐range order and tetrahedral germanium on electronic and dielectric properties in phase‐change materials

Journal of the American Ceramic Society·2023

Evidence for Complex Dynamics in Glassy Fast Ion Conductors: The Case of Sodium Thiosilicates

12 cited

The Journal of Physical Chemistry B·2023· 12 citedOpen Access

Quantitative assessment of network depolymerization in archetypal superionic glasses and its relationship with ion conduction: A case study on <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mtext>Na</mml:mtext><mml:mn>2</mml:mn></mml:msub><mml:mtext>S</mml:mtext><mml:mtext>−</mml:mtext><mml:msub><mml:mtext>GeS</mml:mtext><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>

10 cited

Physical review. B./Physical review. B·2023· 10 cited

EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations

2 cited

arXiv (Cornell University)·2023· 2 citedOpen Access

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Frequent Co-authors

P. Boolchand(15), Mathieu Bauchy(12), Carlo Massobrio(7), Daniel G. Georgiev(6), Kapila Gunasekera(5), Koblar Alan Jackson(3), Mauro Boero(3), Siddhesh Bhosle(3), Philip S. Salmon(3), Emmanuelle Rouhaud(3), J. C. Phillips(2), B. Guillot(2), Y. Wang(2), Massimo Celino(2), Sébastien Le Roux(2), Ali Kachmar(2), Hellmut Eckert(2), D. Novita(2), M. Malki(2), Mathieu Salanne(2)