28 citations · 100 across the 7 of their papers we have counts for
7 papers
Quadrupolar phase transition in superconducting lanthanum hydride
Abhishek Raghav, Kousuke Nakano, Marco Cherubini +2
Lanthanum hydride (LaH) has been widely studied for its high superconducting critical temperature of 250 K at about 170 GPa pressure. Although the structural -t…
Displacive quantum critical point in superconducting hydrides: The case of HS
Marco Cherubini, Abhishek Raghav, Michele Casula
HS sulfur hydride has been widely investigated for its high superconducting critical temperature of 203 K at about GPa. Despite being the precursor of superco…
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…
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…
Electronic structure and effective mass analysis of doped TiO (anatase) systems using DFT+
Abhishek Raghav, Kenta Hongo, Ryo Maezono +1
In this work, electronic structure of several doped TiO anatase systems is computed using DFT+. Effective masses of charge carriers are also computed to quantify how the dop…
Space-warp coordinate transformation for efficient ionic force calculations in quantum Monte Carlo
Kousuke Nakano, Abhishek Raghav, Sandro Sorella
Ab-initio quantum Monte Carlo (QMC) methods are a state-of-the-art computational approach to obtaining highly accurate many-body wave functions. Although QMC methods are widely use…
Intrinsic Electronic Defect States of Anatase using Density Functional Theory
Abhishek Raghav, Adie Tri Hanindriyo, Keishu Utimula +3
In this work an overall electronic structure including the position and formation energies of various intrinsic defects are computed for anatase using Density Functional Theory aid…