Related papers: Normal liquid $^3$He studied by Path Integral Mont…
With regard to the three basic states of matter (solid, liquid, gas), the calculation of the heat capacity of liquids in a general form has been considered one of the deepest and most interesting challenges in condensed matter physics, due…
We present extensive new \textit{ab intio} path integral Monte Carlo results for the momentum distribution function $n(\mathbf{k})$ of the uniform electron gas (UEG) in the warm dense matter (WDM) regime over a broad range of densities and…
We perform density functional molecular dynamics simulations of liquid and solid MgSiO3 in the pressure range of 120-1600 GPa and for temperatures up to 20000 K in order to provide new insight into the nature of the liquid-liquid phase…
Quantum Monte Carlo (QMC) methods such as Variational Monte Carlo, Diffusion Monte Carlo or Path Integral Monte Carlo are the most accurate and general methods for computing total electronic energies. We will review methods we have…
Although liquid water is ubiquitous in chemical reactions at roots of life and climate on the earth, the prediction of its properties by high-level ab initio molecular dynamics simulations still represents a formidable task for quantum…
Quantum Monte Carlo (QMC) simulations of correlated electron systems provide unbiased information about system behavior at a quantum critical point (QCP) and can verify or disprove the existing theories of non-Fermi liquid (NFL) behavior at…
To simulate indistinguishable particles, recent studies of path-integral molecular dynamics formulated their partition function $Z$ as a recurrence relation involving a variable $\xi$, with $\xi=1$(-1) for bosons (fermions). Inspired by…
The phase transitions of liquid Helium 3 are described by truncations of an exact nonperturbative renormalization group equation. The location of the first order transition lines and the jump in the order parameter are computed…
We combine ab initio path integral Monte Carlo (PIMC) simulations with fixed ion configurations from density functional theory molecular dynamics (DFT-MD) simulations to solve the electronic problem for hydrogen under warm dense matter…
We perform \emph{ab initio} quantum Monte Carlo (QMC) simulations of the warm dense uniform electron gas in the thermodynamic limit. By combining QMC data with linear response theory we are able to remove finite-size errors from the…
Molecular para-hydrogen has been proposed theoretically as a possible candidate for superfluidity, but the eventual superfluid transition is hindered by its crystallization. In this work, we study a metastable non crystalline phase of bulk…
We have investigated the effect that dissipation may have on the cavitation process in normal liquid $^3$He. Our results indicate that a rather small dissipation decreases sizeably the quantum-to-thermal crossover temperature $T^*$ for…
We discuss finite temperature quantum Monte Carlo methods in the framework of the interacting nuclear shell model. The methods are based on a representation of the imaginary-time many-body propagator as a superposition of one-body…
Direct Monte Carlo simulations of the Enskog-Boltzmann equation for a spatially uniform system of smooth inelastic spheres are performed. In order to reach a steady state, the particles are assumed to be under the action of an external…
Fermionic condensation typically occurs via pairing. In recent decades, however, a fundamental question has emerged: whether alternative forms of order exist, such as condensates of fermion quadruplets. These states--including ``charge-4e"…
A Monte Carlo algorithm for computing quantum mechanical expectation values of coordinate operators in many body problems is presented. The algorithm, that relies on the forward walking method, fits naturally in a Green's Function Monte…
This work shows that the recently discovered operator contraction identity for solving the discreet Path Integral of the harmonic oscillator can be applied equally to fermions in any dimension. This then yields an exactly solvable model for…
We calculate the finite-temperature density and polarization equations of state of one-dimensional fermions with a zero-range interaction, considering both attractive and repulsive regimes. In the path-integral formulation of the…
Phase transitions, as the condensation of a gas to a liquid, are often revealed by a discontinuous behavior of thermodynamic quantities. For liquid Helium, for example, a divergence of the specific heat signals the transition from the…
We propose a new method to compute the free energy or enthalpy of fluids or disordered solids by computer simulation . The main idea is to construct a reference system by freezing one representative configuration, and then carry out a…