Publications ( 183 )

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The Fragment Molecular Orbital Method Based on Long-Range Corrected Density-Functional Tight-Binding
The Fragment Molecular Orbital Method Based on Long-Range Corrected Density-Functional Tight-Binding
van Quan Vuong, Yoshio Nishimoto, Dmitri Fedorov, Bobby Sumpter, Thomas Niehaus, Stephan Irle
Journal of Chemical Theory and Computation, vol. 15, p3008-3020 (2019)
Thermal transport at a nanoparticle-water interface: A molecular dynamics and continuum modeling study
Thermal transport at a nanoparticle-water interface: A molecular dynamics and continuum modeling study
Ali Rajabpour, Roham Seif, Saeed Arabha, Mohammad Mahdi Heyhat, Samy Merabia, Ali Hassanali
The Journal of Chemical Physics, vol. 150, p114701 (2019)
Implicit Medium Model for Fractal Aggregate Polymer Nanocomposites: Linear Viscoelastic Properties
Implicit Medium Model for Fractal Aggregate Polymer Nanocomposites: Linear Viscoelastic Properties
Yang Wang, Gaëtan Maurel, Marc Couty, François Detcheverry, Samy Merabia
Macromolecules, vol. 52, p2021-2032 (2019)
Oxygen-dislocation interaction in titanium from first principles
Oxygen-dislocation interaction in titanium from first principles
Nermine Chaari, David Rodney, Emmanuel Clouet
Scripta Materialia, vol. 162, p200 - 203 (2019)
2D nanostructure motion on anisotropic surfaces controlled by electromigration
2D nanostructure motion on anisotropic surfaces controlled by electromigration
Stefano Curiotto, Pierre Müller, Ali El-Barraj, Fabien Cheynis, Olivier Pierre-Louis, Frédéric Leroy
Applied Surface Science, vol. 469, p463-470 (2019)
Site stability and pipe diffusion of hydrogen under localised shear in aluminium
Site stability and pipe diffusion of hydrogen under localised shear in aluminium
Xiangjian Wang, Damien Connétable, Döme Tanguy
Philosophical Magazine, vol. 99, p1184-1205 (2019)
An intuitive approach to structuring the three polarization components of light
An intuitive approach to structuring the three polarization components of light
F. Maucher, Stefan Skupin, S. A. Gardiner, I. G. G Hughes
New Journal of Physics, vol. 21, p013032 (2019)
Enhancement and anticipation of the Ioffe-Regel crossover in amorphous/nanocrystalline composites
Enhancement and anticipation of the Ioffe-Regel crossover in amorphous/nanocrystalline composites
Ameni Tlili, V. M. Giordano, Yaroslav Beltukov, Paul Desmarchelier, Samy Merabia, Anne Tanguy
Nanoscale, vol. 11, p21502-21512 (2019)
Wavelength scaling of terahertz pulse energies delivered by two-color air plasmas
Wavelength scaling of terahertz pulse energies delivered by two-color air plasmas
A. Nguyen, K. J Kaltenecker, Jean-Christophe Delagnes, B. Zhou, E. Cormier, N. Fedorov, R. Bouillaud, D. Descamps, I. Thiele, Stefan Skupin, P. U Jepsen, L Bergé
Optics Letters, vol. 44, p1488 (2019)

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