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Roadmap on electronic structure codes in the exascale era
Free accessIOP Institute of Physics | 2023|Keywords: modeling and simulation -
The thermoelectric power investigation of the ϒ2-graphyne molecule device
IOP Institute of Physics | 2023|Keywords: modeling and simulation -
Pristine and modified silicene based volatile organic compound toxic gas sensor: a first principles study
IOP Institute of Physics | 2023|Keywords: modeling and simulation -
Non-equilibrium structural and dynamic behaviors of active polymers in complex and crowded environments
Free accessIOP Institute of Physics | 2024|Keywords: modeling and simulation -
Ferroelectricity of hafnium oxide-based materials: Current status and future prospects from physical mechanisms to device applications
IOP Institute of Physics | 2023|Keywords: modeling and simulation
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