Quantum-informed simulations for mechanics of materials: DFTB+MBD framework

Shen, Zhaoxiang; Sosa, Raúl I.; Bordas, Stéphane P.A.; Tkatchenko, Alexandre; Lengiewicz, Jakub

doi:10.1016/j.ijengsci.2024.104126

International Journal of Engineering Science

2024

DOI: 10.1016/j.ijengsci.2024.104126

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Quantum-informed simulations for mechanics of materials: DFTB+MBD framework

Zhaoxiang Shen,

Raúl I. Sosa,

Stéphane P.A. Bordas

et al.

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2025

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Exploring the electronic and mechanical properties of the recently synthesized nitrogen-doped amorphous monolayer carbon

dos Santos,

Pereira,

Tromer

et al. 2025

Nanoscale

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Exploring the electronic and mechanical properties of the recently synthesized nitrogen-doped amorphous monolayer carbon

dos Santos,

Pereira,

Tromer

et al. 2025

Nanoscale

View full text Add to dashboard Cite

show abstract

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Quantum-informed simulations for mechanics of materials: DFTB+MBD framework

Cited by 1 publication

References 73 publications

Exploring the electronic and mechanical properties of the recently synthesized nitrogen-doped amorphous monolayer carbon

Exploring the electronic and mechanical properties of the recently synthesized nitrogen-doped amorphous monolayer carbon

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