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Incremental solver for Orbital-Free Density Functional Theory

François Rousse , Stephane Redon
Journal of Computational Chemistry, 2019, 40 (23), pp.2013-2027. ⟨10.1002/jcc.25854⟩
Article dans une revue hal-02135603v1

Impact of Hydrogen on Graphene-based Materials: Atomistic Modeling and Simulation of HRSTEM Images

Cyril Guedj , Léonard Jaillet , François Rousse , Stephane Redon
AVS 65th International Symposium & Exhibition, Oct 2018, Long Beach, United States
Communication dans un congrès hal-01973651v1

Atomistic Modelling and Simulation of Transmission Electron Microscopy Images: Application to Intrinsic Defects of Graphene

Cyril Guedj , Léonard Jaillet , François Rousse , Stephane Redon
SIMULTECH 2018 - 8th International Conference on Simulation and Modeling Methodologies, Technologies and Applications, Jul 2018, Porto, Portugal. ⟨10.5220/0006829200150024⟩
Communication dans un congrès hal-01973626v1