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physics.comp-ph2024
van der Waals Torque in 2D Materials Induced by Interaction between Many-Body Charge Density Fluctuations
Zepu Kou, Yuquan Zhou, Zonghuiyi Jiang +2
Van der Waals torque determines the relative rotational motion between anisotropic objects, being of relevance to low-dimensional systems. Here we demonstrate a substantial torque…
cs.CE2024★ 6 cited
Quantum-informed simulations for mechanics of materials: DFTB+MBD framework
Zhaoxiang Shen, Raúl I. Sosa, Stéphane P. A. Bordas +2
The macroscopic behaviors of materials are determined by interactions that occur at multiple lengths and time scales. Depending on the application, describing, predicting, and unde…