We present a new Monte Carlo method which couples Path Integral for finite temperature protons with Quantum Monte Carlo for ground state electrons, and we apply it to metallic hydrogen for pressures beyond molecular dissociation. We report data for the equation of state for temperatures across the melting of the proton crystal. Our data exhibit more structure and higher melting temperatures of the proton crystal than Car-Parrinello Molecular Dynamics results. This method fills the gap between high temperature electron-proton Path Integral and ground state Diffusion Monte Carlo methods
Quantum Monte Carlo methods are among the most accurate algorithms for predicting properties of gene...
Path integral Monte Carlo is a proven method for accurately simulating quantum mechanical systems at...
Path integral Monte Carlo (PIMC) is a quantum-level simulation method based on a stochastic sampling...
Variational and Diffusion Monte Carlo are powerful computational methods which can afford accurate e...
In these Lecture Notes we review the principles of the Coupled Electron-Ion Monte Carlo methods and ...
Variational and Diffusion Monte Carlo are powerful computational methods which can afford accurate e...
In the last few years we have been developing a Monte Carlo simulation method to cope with systems o...
We report recent progress in the Coupled Electron-Ion Monte Carlo method and its application to high...
We report recent progress in the Coupled Electron-Ion Monte Carlo method and its application to high...
Path Integral Monte Carlo are the most accurate and general methods for computing total electronic e...
The aim of this Ph.D. thesis is the study of high pressure hydrogen phases, by means of Monte Carlo ...
We use the diffusion quantum Monte Carlo (DMC) method to calculate the ground-state phase diagram of...
Quantum Monte Carlo (QMC) methods are among the most accurate for computing ground state properties ...
The melting temperature of solid hydrogen drops with pressure above similar to 65 GPa, suggesting th...
Establishing the phase diagram of hydrogen is a major challenge for experimental and theoretical phy...
Quantum Monte Carlo methods are among the most accurate algorithms for predicting properties of gene...
Path integral Monte Carlo is a proven method for accurately simulating quantum mechanical systems at...
Path integral Monte Carlo (PIMC) is a quantum-level simulation method based on a stochastic sampling...
Variational and Diffusion Monte Carlo are powerful computational methods which can afford accurate e...
In these Lecture Notes we review the principles of the Coupled Electron-Ion Monte Carlo methods and ...
Variational and Diffusion Monte Carlo are powerful computational methods which can afford accurate e...
In the last few years we have been developing a Monte Carlo simulation method to cope with systems o...
We report recent progress in the Coupled Electron-Ion Monte Carlo method and its application to high...
We report recent progress in the Coupled Electron-Ion Monte Carlo method and its application to high...
Path Integral Monte Carlo are the most accurate and general methods for computing total electronic e...
The aim of this Ph.D. thesis is the study of high pressure hydrogen phases, by means of Monte Carlo ...
We use the diffusion quantum Monte Carlo (DMC) method to calculate the ground-state phase diagram of...
Quantum Monte Carlo (QMC) methods are among the most accurate for computing ground state properties ...
The melting temperature of solid hydrogen drops with pressure above similar to 65 GPa, suggesting th...
Establishing the phase diagram of hydrogen is a major challenge for experimental and theoretical phy...
Quantum Monte Carlo methods are among the most accurate algorithms for predicting properties of gene...
Path integral Monte Carlo is a proven method for accurately simulating quantum mechanical systems at...
Path integral Monte Carlo (PIMC) is a quantum-level simulation method based on a stochastic sampling...