4 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…