@article{ef495883383041558bf0fac40649b274,
title = "Phonons of metallic hydrogen with quantum Monte Carlo",
abstract = "We describe a simple scheme to perform phonon calculations with quantum Monte Carlo (QMC) methods and demonstrate it on metallic hydrogen. Because of the energy and length scales of metallic hydrogen and the statistical noise inherent to QMC methods, the conventional manner of calculating force constants is prohibitively expensive. We show that our alternate approach is nearly 100 times more efficient in resolving the force constants needed to calculate the phonon spectrum in the harmonic approximation. This requires only the calculation of atomic forces, as in the conventional approach, and otherwise little or no programmatic modification.",
author = "Ly, {Kevin K.} and Ceperley, {David M.}",
note = "Funding Information: We thank Yubo Yang and Raymond Clay for their insights on QMCPACK and QMC forces. This research was supported by the DOE, Grant No. DE-SC0020177. This research is a part of the Blue Waters Sustained-Petascale Computing Project, which is supported by the National Science Foundation (Award Nos. OCI-0725070 and ACI-1238993), the state of Illinois, and the National Geospatial-Intelligence Agency as of December 2019. Blue Waters is a joint effort of the University of Illinois at Urbana-Champaign and its National Center for Supercomputing Applications. This work made use of the Illinois Campus Cluster, a computing resource that is operated by the Illinois Campus Cluster Program (ICCP) in conjunction with the National Center for Supercomputing Applications (NCSA) and that is supported by funds from the University of Illinois at Urbana-Champaign. Publisher Copyright: {\textcopyright} 2022 Author(s).",
year = "2022",
month = jan,
day = "28",
doi = "10.1063/5.0077749",
language = "English (US)",
volume = "156",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "4",
}