Low-rank approximations have long been considered an efficient way to accelerate
electronic structure calculations associated with the evaluation of electron repulsion …

We review a suite of stochastic vector computational approaches for studying the electronic
structure of extended condensed matter systems. These techniques help reduce algorithmic …

The description of carrier dynamics in spatially confined semiconductor nanocrystals (NCs),
which have enhanced electron–hole and exciton–phonon interactions, is a great challenge …

We review one of the most versatile theoretical approaches to the study of time-dependent
correlated quantum transport in nano-systems: the non-equilibrium Green's function (NEGF) …

Having already achieved near-unity quantum yields, with promising properties for light-
emitting diode, lasing, and charge separation applications, colloidal core/shell quantum dots …

We present a real-time second-order Green's function (GF) method for computing excited
states in molecules and nanostructures, with a computational scaling of O (N e3), where N e …

We explore the use of the stochastic resolution-of-the-identity (sRI) with the phaseless
auxiliary-field quantum Monte Carlo (ph-AFQMC) method. sRI is combined with four existing …

Wannier functions have become a powerful tool in the electronic structure calculations of
extended systems. The generalized Pipek-Mezey Wannier functions exhibit appealing …

We present the theory, implementation, and benchmarking of a real-time time-dependent
density functional theory (RT-TDDFT) module within the RMG code, designed to simulate …

We apply a stochastic resolution of identity approximation (sRI) to the CC2 method for the
excitation energy calculations. A set of stochastic orbitals are employed to decouple the …