We introduce a new family of trial wave-functions based on deep neural networks to solve
the many-electron Schrödinger equation. The Pauli exclusion principle is dealt with explicitly …

The combination of neural networks and quantum Monte Carlo methods has arisen as a
promising path forward for highly accurate electronic structure calculations. Previous …

The quantum Monte Carlo (QMC) method has become increasingly important for solution of
the stationary Schrödinger equation for atoms, molecules and solids. The method has been …

Understanding the applicability and limitations of electronic-structure methods needs careful
and efficient comparison with accurate reference data. Knowledge of the quality and errors …

The energy variance optimization algorithm over a fixed ensemble of configurations in
variational Monte Carlo often encounters problems of convergence. Being formally identical …

In recent years weakly bound atomic and molecular clusters have attracted the attention of a
growing number of experimentalists and theoreticians. They offer the unique opportunity to …

The Zori 1.0 package for electronic structure computations is described. Zori performs
variational and diffusion Monte Carlo computations as well as correlated wave function …

Abstract Variational Monte Carlo (VMC) methods are a powerful set of quantum Monte Carlo
(QMC) methods that may not only be used to determine the variational energy of a fully …

Heteronuclear dimers are of significant interest to experiments seeking to exploit ultracold
polar molecules in a number of novel ways, including precision measurement, quantum …

We investigate strongly correlated many-body systems composed of bosons and fermions
with a fully quantum treatment using the path-integral ground state method, PIGS. To …