The extraction of lithium resources through chemical and electrochemical adsorption has
become increasingly vital to meet the growing demands of new energy sources. In the …

We provide a formulation of potential nonrelativistic quantum chromodynamics (pNRQCD)
suitable for calculating binding energies and matrix elements of generic hadron and …

Recent study has shown that it can be advantageous to implement a composite channel that
partitions the Hamiltonian H for a given simulation problem into subsets A and B such that …

We propose an approach to compute the ground state properties of collections of interacting
asymmetric top molecules based on the density matrix renormalization group method …

The Stochastic Series Expansion (SSE) technique is a quantum Monte Carlo method that is
especially efficient for many quantum spin systems and boson models. It was the first …

Diffusion Monte Carlo (DMC) provides a powerful method for understanding the vibrational
landscape of molecules that are not well-described by conventional methods. The most …

The boom of semiconductor quantum computing platforms created a demand for computer-
aided design and fabrication of quantum devices. Path-integral Monte Carlo (PIMC) can …

We extend the Langevin equation Path Integral Ground State (LePIGS), a ground state
quantum molecular dynamics method, to simulate flexible molecular systems and calculate …

An exciting development in the field of correlated systems is the possibility of realizing two-
dimensional (2D) phases of quantum matter. For a system of bosons, an example of strong …

A path integral ground state (PIGS) approach for the simulation of asymmetric top rotors is
presented. The method is based on Monte Carlo sampling of angular degrees of freedom. A …