66 citations · 576 across the 31 of their papers we have counts for
5 papers · 1 filter
TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods
Kousuke Nakano, Oto Kohulák, Abhishek Raghav +2
TurboGenius is an open-source Python package designed to fully control ab initio quantum Monte Carlo (QMC) jobs using a Python script, which allows one to perform high-throughput c…
Feature space of XRD patterns constructed by auto-encorder
Keishu Utimula, Masao Yano, Hiroyuki Kimoto +3
It would be a natural expectation that only major peaks, not all of them, would make an important contribution to the characterization of the XRD pattern. We developed a scheme tha…
TurboRVB: a many-body toolkit for {\it ab initio} electronic simulations by quantum Monte Carlo
Kousuke Nakano, Claudio Attaccalite, Matteo Barborini +9
TurboRVB is a computational package for {\it ab initio} Quantum Monte Carlo (QMC) simulations of both molecular and bulk electronic systems. The code implements two types of well e…
Stochastic estimations of a total number of classes for the clusterings with too enormous samples to be accommodate into a clustering engine
Keishu Utimula, Genki I. Prayogo, Kousuke Nakano +2
We considered the problem how to handle the exploding number of possibilities to be sorted into irreducible classes by using a clustering tool when its input capacity cannot accomm…
Speeding up the ab initio diffusion Monte Carlo by a smart lattice regularization
Kousuke Nakano, Ryo Maezono, Sandro Sorella
One of the most significant drawbacks of the all-electron ab initio diffusion Monte Carlo (DMC) is that its computational cost drastically increases with the atomic number (), w…