Sophie Loehlé

Total (France) — France

Engineering · Physical Sciences

14h-index612citations37works7.82yr avg
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Research Topics

Lubricants and Their Additives(27), Force Microscopy Techniques and Applications(10), Tribology and Wear Analysis(8), Molecular Junctions and Nanostructures(6), Machine Learning in Materials Science(6)

Publications37 total

Reducing friction and wear with alkyl gallate additives in water-based lubricants
Materials Today Nano·2025· 5 citedOpen Access
Probing additives for green lubricants with the aid of machine learning molecular dynamics: The case of gallate molecules for aqueous solutions
Applied Surface Science·2025· 3 citedOpen Access
Molecular modeling of the diffusion of ammonia through corrosion inhibitor films on copper
Corrosion Science·2024· 5 citedOpen Access
Superlubricity from mechanochemically activated aromatic molecules of natural origin: A new concept for green lubrication
Carbon·2024· 14 citedOpen Access
Ab initio informed machine learning potential for tribochemistry and mechanochemistry: Application for eco–friendly gallate lubricant additive
Computational Materials Today·2024· 12 citedOpen Access
Distributed Reinforcement Learning for Molecular Design: Antioxidant case
arXiv (Cornell University)·2023Open Access
Corrigendum to Importance of the catalytic effect of the substrate in the functionality of lubricant additives: the case of molybdenum dithiocarbamates. Materials Today Chemistry 21 (2021) 100487
Materials Today Chemistry·2023
Aromatic molecules as sustainable lubricants explored by ab initio simulations
Carbon·2022· 8 citedOpen Access
Ascorbyl Palmitate-Vitamin C Effective Friction Modifier and Wear Inhibitor for Steel in a PAO Base Oil
Lubricants·2022Open Access
Aromatic Molecules as Sustainable Lubricants Explored by Ab Initio Simulations
SSRN Electronic Journal·2022Open Access
Transferable Gaussian Attractive Potentials for Organic/Oxide Interfaces
The Journal of Physical Chemistry B·2021· 11 citedOpen Access
DockOnSurf: A Python code for the High-Throughput Screening of Flexible Molecules Adsorbed on Surfaces
2021Open Access
Importance of the catalytic effect of the substrate in the functionality of lubricant additives: the case of molybdenum dithiocarbamates
Materials Today Chemistry·2021· 20 citedOpen Access
Experimental and Ab Initio Characterization of Mononuclear Molybdenum Dithiocarbamates in Lubricant Mixtures
Langmuir·2021· 9 citedOpen Access
DockOnSurf: A Python code for the High-Throughput Screening of Flexible Molecules Adsorbed on Surfaces
2021· 2 citedOpen Access
DockOnSurf: A Python code for the High-Throughput Screening of Flexible Molecules Adsorbed on Surfaces
2021· 3 citedOpen Access
(Dis)Similarities of adsorption of diverse functional groups over alumina and hematite depending on the surface state
The Journal of Chemical Physics·2021· 20 citedOpen Access
Transferable Gaussian Attractive Potentials for Organic/oxide Interfaces
2021Open Access
Transferable Gaussian Attractive Potentials for Organic/oxide Interfaces
2021· 5 citedOpen Access
Molecular adsorption on metal oxides: an in silico design of lubricants
HAL (Le Centre pour la Communication Scientifique Directe)·2020
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Frequent Co-authors

Maria Clelia Righi(16), Stephan N. Steinmann(12), Carine Michel(12), Sarah Blanck(10), Stefan Peeters(8), Benoît Thiébaut(7), C. Minfray(6), R. Iovine(5), J. M. Martin(5), Thierry Le Mogne(4), Maria-Isabel De Barros Bouchet(4), Carles Martí(4), Mauro Ferrario(4), Jean Michel Martin(4), Christine Matta(3), Akira Miyamoto(3), Yun‐Ze Long(3), Paul Clabaut(3), Gabriele Losi(3), Ruben Staub(3)