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Vanessa Angenent, Computational Construction of atomistic non-planar char models (abstract)
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Ekaterina Anikina, Carbon nanomaterials for hydrogen storage application: DFT modelling (abstract)
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Bernardo Barbiellini, Understanding Iron-based catalysts with efficient Oxygen Reduction Activity from First Principle calculations (abstract)
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Francisco Javier Dominguez Gutierrez, MD simulation for hydrogen capture by boron-doped fullerenes at low energy collisions (abstract)
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Markus Hirvensalo, Developing computational tools for the core-level spectroscopy of amorphous carbon (abstract)
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Damjan Iveković, Exploring effects of the swift heavy ion beam charge state on the ion track production in graphene (abstract)
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Dimitrios Kilymis, Understanding the structure of disordered carbons through calculations of NMR spectra (abstract)
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Jian Liu, Plasma deposition and swift heavy ion irradiation effects of diamond-like-carbon coating multilayer graphene: A molecular dynamics simulation (abstract)
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James McHugh, Ab-Initio Simulation of Fission Product Diffusion in Graphene & Graphite (abstract)
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Johannes Nokelainen, Gate-tunable magnetism of C adatoms on graphene (abstract)
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Teerachote Pakornchote, Ab-initio study on stabilization and intrinsic properties of bilayer graphene forming sp3 bonding (abstract)
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Chao Peng, New insight into lithium intercalation and doping implications at edged graphite in Lithium-Ion Battery (abstract)
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Franz Martin Rohrhofer, Machine learning of DFT internal energies for carbon and boron structures
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Yiwei Sun, π-electrons of Multi-layer Graphene Under Compression (abstract)
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Harry Tunstall, Towards a General-Purpose Interatomic Potential for Silicon Carbide (abstract)