117 citations · 220 across the 8 of their papers we have counts for
8 papers
Variance reduction for forces and pressure in variational Monte Carlo
David Linteau, Saverio Moroni, Giuseppe Carleo +1
We present simple and practical strategies to reduce the variance of Monte Carlo estimators. Our focus is on variational Monte Carlo calculations of atomic forces and pressure in e…
The liquid-liquid phase transition of hydrogen and its critical point: Analysis from ab initio simulation and a machine-learned potential
Mathieu Istas, Scott Jensen, Yubo Yang +3
We simulate high-pressure hydrogen in its liquid phase close to molecular dissociation using a machine-learned interatomic potential. The model is trained with density functional t…
Phase diagram and crystal melting of helium-4 in two dimensions
David Linteau, Gabriel Pescia, Jannes Nys +2
We study the zero-temperature phase diagram of two-dimensional helium-4 using neural quantum states. Our variational description allows us to address liquid and solid phases using…
High temperature melting of dense molecular hydrogen from machine-learning interatomic potentials trained on quantum Monte Carlo
Shubhang Goswami, Scott Jensen, Yubo Yang +3
We present results and discuss methods for computing the melting temperature of dense molecular hydrogen using a machine learned model trained on quantum Monte Carlo data. In this…
First principles simulations of dense hydrogen
Michael Bonitz, Jan Vorberger, Mandy Bethkenhagen +24
Accurate knowledge of the properties of hydrogen at high compression is crucial for astrophysics (e.g. planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) a…
Electronic excitation spectra of molecular hydrogen in Phase I from Quantum Monte Carlo and Many-Body perturbation methods
Vitaly Gorelov, Markus Holzmann, David M. Ceperley +1
We study the electronic excitation spectra in solid molecular hydrogen (phase I) at ambient temperature and 5-90 GPa pressures using Quantum Monte Carlo methods and Many-Body Pertu…