Y
Ye Luo
Researcher at Argonne National Laboratory
Publications - 63
Citations - 1831
Ye Luo is an academic researcher from Argonne National Laboratory. The author has contributed to research in topics: Quantum Monte Carlo & Computer science. The author has an hindex of 18, co-authored 43 publications receiving 1455 citations. Previous affiliations of Ye Luo include National Center for Simulation & Fudan University.
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Wurtzite-derived polytypes of kesterite and stannite quaternary chalcogenide semiconductors
TL;DR: In this article, the authors report a wurtzite-derived structure corresponding to the kesterite structure, which is the ground state for some quaternary chalcogenide semiconductors.
Journal Article
Wurtzite-derived polytypes of kesterite and stannite quaternary chalcogenide semiconductors
TL;DR: In this paper, a wurtzite-derived structure corresponding to the kesterite structure is reported, which is the ground state for some I(2)-II-IV-VI(4) compounds.
Journal ArticleDOI
QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids
Jeongnim Kim,Andrew Baczewski,Todd D Beaudet,Anouar Benali,M. Chandler Bennett,Mark Berrill,Nick S. Blunt,Edgar Josué Landinez Borda,Michele Casula,David M. Ceperley,Simone Chiesa,Bryan K. Clark,Raymond C. Clay,Kris T. Delaney,Mark Dewing,Kenneth Esler,Hongxia Hao,Olle Heinonen,Olle Heinonen,Paul R. C. Kent,Jaron T. Krogel,Ilkka Kylänpää,Ying Wai Li,M. Graham Lopez,Ye Luo,Fionn D. Malone,Richard M. Martin,Amrita Mathuriya,Jeremy McMinis,Cody A. Melton,Lubos Mitas,Miguel A. Morales,Eric Neuscamman,Eric Neuscamman,William Parker,Sergio D. Pineda Flores,Nichols A. Romero,Brenda M. Rubenstein,Jacqueline A. R. Shea,Hyeondeok Shin,Luke Shulenburger,Andreas F. Tillack,Joshua P. Townsend,Norm M. Tubman,Brett Van Der Goetz,Jordan Vincent,D. ChangMo Yang,Yubo Yang,Shuai Zhang,Luning Zhao +49 more
TL;DR: QMCPACK as mentioned in this paper is an open source quantum Monte Carlo package for ab initio electronic structure calculations that supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians.
Journal ArticleDOI
QMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids
Jeongnim Kim,Andrew Baczewski,Todd D. Beaudet,Anouar Benali,M. Chandler Bennett,Mark Berrill,Nick S. Blunt,Michele Casula,David M. Ceperley,Simone Chiesa,Bryan K. Clark,Raymond C. Clay,Kris T. Delaney,Mark Dewing,Kenneth Esler,Hongxia Hao,Olle Heinonen,Paul R. C. Kent,Jaron T. Krogel,Ilkka Kylänpää,Ying Wai Li,M. Graham Lopez,Ye Luo,Richard M. Martin,Amrita Mathuriya,Jeremy McMinis,Cody A. Melton,Lubos Mitas,Miguel A. Morales,Eric Neuscamman,William Parker,Sergio D. Pineda Flores,Nichols A. Romero,Brenda M. Rubenstein,Jacqueline A. R. Shea,Hyeondeok Shin,Luke Shulenburger,Andreas F. Tillack,Joshua P. Townsend,Norm M. Tubman,Brett Van Der Goetz,Jordan Vincent,Yubo Yang,Shuai Zhang,Luning Zhao +44 more
TL;DR: QMCPACK as mentioned in this paper is an open source quantum Monte Carlo package for ab-initio electronic structure calculations that supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians.
Journal ArticleDOI
QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo.
Paul R. C. Kent,Abdulgani Annaberdiyev,Anouar Benali,M. Chandler Bennett,Edgar Josué Landinez Borda,Peter Doak,Hongxia Hao,Kenneth D. Jordan,Jaron T. Krogel,Ilkka Kylänpää,Joonho Lee,Ye Luo,Fionn D. Malone,Cody A. Melton,Lubos Mitas,Miguel A. Morales,Eric Neuscamman,Fernando A. Reboredo,Brenda M. Rubenstein,Kayahan Saritas,Shiv Upadhyay,Guangming Wang,Shuai Zhang,Luning Zhao +23 more
TL;DR: In this paper, the authors review recent advances in the capabilities of the open source ab initio Quantum Monte Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency and reproducibility.