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quant-ph2023
Solving the Wigner Equation for Chemically Relevant Scenarios: Dynamics in 2D
Yu Wang, Lena Simine
Signed Particle Monte Carlo (SPMC) approach has been used in the past to model steady-state and transient dynamics of the Wigner quasi-distribution for electrons in low dimensional…
cond-mat.mes-hall2023
Simulations of Disordered Matter in 3D with the Morphological Autoregressive Protocol (MAP) and Convolutional Neural Networks
Ata Madanchi, Michael Kilgour, Frederik Zysk +2
Disordered molecular systems such as amorphous catalysts, organic thin films, electrolyte solutions, and water are at the cutting edge of computational exploration today. Tradition…