150 citations · 322 across the 7 of their papers we have counts for
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Computational methods in Coupled Electron-Ion Monte Carlo
Carlo Pierleoni, David M. Ceperley
In the last few years we have been developing a Monte Carlo simulation method to cope with systems of many electrons and ions in the Born-Oppenheimer (BO) approximation, the Couple…
Accurate, efficient and simple forces with Quantum Monte Carlo methods
Simone Chiesa, David Ceperley, Shiwei Zhang
Computation of ionic forces using quantum Monte Carlo methods has long been a challenge. We introduce a simple procedure, based on known properties of physical electronic densities…
Coupled Electron Ion Monte Carlo Calculations of Dense Metallic Hydrogen
Carlo Pierleoni, David M. Ceperley, Markus Holzmann
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 hydr…
The Coupled Electronic-Ionic Monte Carlo Simulation Method
David Ceperley, Mark Dewing, Carlo Pierleoni
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…