skip to main content

DOE PAGESDOE PAGES

Title: Coupled electron-ion Monte Carlo simulation of hydrogen molecular crystals

Authors:
 [1] ;  [2] ; ORCiD logo [3] ; ORCiD logo [4]
  1. Department of Physics, Sapienza University of Rome, Rome, Italy
  2. Physics Division, Lawrence Livermore National Laboratory, Livermore, California 94550, USA
  3. Department of Physics, University of Illinois Urbana-Champaign, Champaign, llinois 61801, USA
  4. Department of Physical and Chemical Sciences, University of L’Aquila, L’Aquila, Italy, Maison de la Simulation, CEA, CNRS, Univ. Paris-Sud, UVSQ, Université Paris-Saclay, 91191 Gif-sur-Yvette, France
Publication Date:
Grant/Contract Number:
AC52-07NA27344; NA DE-NA0001789
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 148 Journal Issue: 10; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1405552

Rillo, Giovanni, Morales, Miguel A., Ceperley, David M., and Pierleoni, Carlo. Coupled electron-ion Monte Carlo simulation of hydrogen molecular crystals. United States: N. p., Web. doi:10.1063/1.5001387.
Rillo, Giovanni, Morales, Miguel A., Ceperley, David M., & Pierleoni, Carlo. Coupled electron-ion Monte Carlo simulation of hydrogen molecular crystals. United States. doi:10.1063/1.5001387.
Rillo, Giovanni, Morales, Miguel A., Ceperley, David M., and Pierleoni, Carlo. 2018. "Coupled electron-ion Monte Carlo simulation of hydrogen molecular crystals". United States. doi:10.1063/1.5001387.
@article{osti_1405552,
title = {Coupled electron-ion Monte Carlo simulation of hydrogen molecular crystals},
author = {Rillo, Giovanni and Morales, Miguel A. and Ceperley, David M. and Pierleoni, Carlo},
abstractNote = {},
doi = {10.1063/1.5001387},
journal = {Journal of Chemical Physics},
number = 10,
volume = 148,
place = {United States},
year = {2018},
month = {3}
}

Works referenced in this record:

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009
  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502