Kavli Affiliate: Jeffrey Neaton | Summary:Ab initio downfolding describes the electronic structure of materials within a low-energy subspace, often around the Fermi level. Typically starting from mean-field calculations, this framework allows for the calculation of one- and two-electron interactions, and the parametrization of a many-body Hamiltonian representing the active space of interest. The subsequent solution […]

Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Norm M. Tubman, Christopher J. N. Coveney, Chih-En Hsu, Andres Montoya-Castillo, Marina R. Filip | Summary: Ab initio downfolding describes the electronic structure of materials within a low-energy subspace, often around the Fermi level. Typically starting from mean-field calculations, this framework allows for the calculation of […]

Kavli Affiliate: Feng Wang | First 5 Authors: Feng Wang, Zhongguo Sun, Xiangyu Hu, , | Summary: This paper presents a Weakly Compressible Smoothed Particle Hydrodynamics (WCSPH) method for solving the two-equation Reynolds-Averaged Navier-Stokes (RANS) model. The turbulent wall-bounded flow with or without mild flow separation, a crucial flow pattern in engineering applications, yet rarely […]

Kavli Affiliate: Michael Crommie | Summary:Excitonic insulators represent a unique quantum phase of matter, providing a rich ground for studying exotic quantum bosonic states. Strongly coupled electron-hole bilayers, which host stable dipolar exciton fluids with an exciton density that can be adjusted electrostatically, offer an ideal platform to investigate correlated excitonic insulators. Based on electron-hole […]

Kavli Affiliate: Michael F. Crommie | First 5 Authors: Ruishi Qi, Qize Li, Zuocheng Zhang, Zhiyuan Cui, Bo Zou | Summary: Excitonic insulators represent a unique quantum phase of matter, providing a rich ground for studying exotic quantum bosonic states. Strongly coupled electron-hole bilayers, which host stable dipolar exciton fluids with an exciton density that […]