Computational Materials Science
Journal Abbreviation: COMP MATER SCI
ISSN: 0927-0256
Publisher: Elsevier
Publications (30)
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