66 citations · 576 across the 31 of their papers we have counts for
5 papers · 1 filter
Towards chemical accuracy using the Jastrow correlated antisymmetrized geminal power ansatz
Abhishek Raghav, Ryo Maezono, Kenta Hongo +2
Herein, we report accurate atomization energy calculations for 55 molecules in the Gaussian-2 (G2) set using lattice regularized diffusion Monte Carlo (LRDMC). We compare the Jastr…
Topological data analysis for revealing structural origin of density anomalies in silica glass
Andrea Tirelli, Kousuke Nakano
Topological data analysis (TDA) is a new emerging and powerful tool to understand the medium range structure ordering of multi-scale data. This study investigates the density anoma…
High-pressure BaCN phases explored by genetic algorithm
Peng Song, Mari Kawaguchi, Yuji Masubuchi +4
Polymers containing nitrogen have attracted much attention in connection with their application to high energy density materials (HEDMs), in which energy is inherent in the triple…
Potential high- superconductivity in YCeH and LaCeH under pressure
Peng Song, Zhufeng Hou, Kousuke Nakano +2
Lanthanum, yttrium, and cerium hydrides are the three most well-known superconducting binary hydrides (La-H, Y-H, and Ce-H systems), which have gained great attention in both theor…
Quantum phase diagram of high-pressure hydrogen
Lorenzo Monacelli, Michele Casula, Kosuke Nakano +2
The interplay between electron correlation and nuclear quantum effects makes our understanding of elemental hydrogen a formidable challenge. Here, we present the phase diagram of h…