21 citations · 72 across the 5 of their papers we have counts for
5 papers
Algorithm for branching and population control in correlated sampling
Siyuan Chen, Yiqi Yang, Miguel Morales +1
Correlated sampling has wide-ranging applications in Monte Carlo calculations. When branching random walks are involved, as commonly found in many algorithms in quantum physics and…
Computation of forces and stresses in solids: Towards accurate structural optimization with auxiliary-field quantum Monte Carlo
Siyuan Chen, Shiwei Zhang
The accurate computation of forces and other energy derivatives has been a long-standing challenge for quantum Monte Carlo methods. A number of technical obstacles contribute to th…
Accurate Kohn-Sham auxiliary system from the ground state density of solids
Ayoub Aouina, Matteo Gatti, Siyuan Chen +2
The Kohn-Sham (KS) system is an auxiliary system whose effective potential is unknown in most cases. It is in principle determined by the ground state density, and it has been foun…
A structural optimization algorithm with stochastic forces and stresses
Siyuan Chen, Shiwei Zhang
We propose an algorithm for optimizations in which the gradients contain stochastic noise. This arises, for example, in structural optimizations when computations of forces and str…
Ab initio electronic density in solids by many-body plane-wave auxiliary-field quantum Monte Carlo calculations
Siyuan Chen, Mario Motta, Fengjie Ma +1
We present accurate many-body results of the electronic densities in several solid materials, including Si, NaCl, and Cu. These results are obtained using the ab initio auxiliary-f…