Computational Materials Science

Journal Abbreviation: COMP MATER SCI
ISSN: 0927-0256
Publisher: Elsevier

Publications (30)

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Unpublished / Preprint

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Abstract

Molecular dynamics simulation and experimental investigation of the geometrical morphology development of injection-molded nanopillars on polymethylmethacrylate surface (2018) Zhou M, Xiong X, Drummer D, Jiang B Journal article Time dependent DFT in natural orbitals (2017) Vincendon M, Lacombe L, Dinh PM, Suraud E, Reinhard PG Journal article Nanoscratching of iron: A novel approach to characterize dislocation microstructures (2017) Gunkelmann N, Alhafez IA, Steinberger D, Urbassek HM, Sandfeld S Journal article, Original article Electronic structure and oxygen reduction on tunable [Ti(IV)Pc]2+ and Ti(II)Pc titanyl-phthalocyanines: A quantum chemical prediction (2017) De Lile JR, Heine T, Zhou S Journal article Nanoscratching of iron: A novel approach to characterize dislocation microstructures (2017) Gunkelmann N, Alhafez IA, Steinberger D, Urbassek HM, Sandfeld S Journal article, Original article Uniaxial deformation of polystyrene–silica nanocomposites studied by hybrid molecular dynamics–finite element simulations (2016) Liu S, Pfaller S, Rahimi M, Possart G, Steinmann P, Böhm MC, Müller-Plathe F Journal article Inverse simulated annealing: Improvements and application to amorphous InSb (2016) Los JH, Gabardi S, Bernasconi M, Kühne TD Journal article A coupled Cellular Automaton–Lattice Boltzmann model for grain structure simulation during additive manufacturing (2016) Rai A, Markl M, Körner C Journal article, Original article Molecular statics simulations of head to head and tail to tail nanodomains of rhombohedral barium titanate (2015) Endres F, Steinmann P Journal article Mechanical properties and thermal conductivity of graphitic carbon nitride: A molecular dynamics study (2015) Mortazavi B, Cuniberti G, Rabczuk T Journal article
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