Zobrazeno 1 - 10
of 287
pro vyhledávání: '"David M. Ceperley"'
Autor:
Mario Motta, David M. Ceperley, Garnet Kin-Lic Chan, John A. Gomez, Emanuel Gull, Sheng Guo, Carlos A. Jiménez-Hoyos, Tran Nguyen Lan, Jia Li, Fengjie Ma, Andrew J. Millis, Nikolay V. Prokof’ev, Ushnish Ray, Gustavo E. Scuseria, Sandro Sorella, Edwin M. Stoudenmire, Qiming Sun, Igor S. Tupitsyn, Steven R. White, Dominika Zgid, Shiwei Zhang
Publikováno v:
Physical Review X, Vol 11, Iss 2, p 029901 (2021)
Externí odkaz:
https://doaj.org/article/4aea40cead1341ba96199a325ef3f716
Publikováno v:
Entropy, Vol 16, Iss 1, Pp 287-321 (2013)
Quantum Monte Carlo methods are among the most accurate algorithms for predicting properties of general quantum systems. We briefly introduce ground state, path integral at finite temperature and coupled electron-ion Monte Carlo methods, their merits
Externí odkaz:
https://doaj.org/article/9650b89463f14aaa8db4d8dbe9477345
Autor:
Mario Motta, David M. Ceperley, Garnet Kin-Lic Chan, John A. Gomez, Emanuel Gull, Sheng Guo, Carlos A. Jiménez-Hoyos, Tran Nguyen Lan, Jia Li, Fengjie Ma, Andrew J. Millis, Nikolay V. Prokof’ev, Ushnish Ray, Gustavo E. Scuseria, Sandro Sorella, Edwin M. Stoudenmire, Qiming Sun, Igor S. Tupitsyn, Steven R. White, Dominika Zgid, Shiwei Zhang
Publikováno v:
Physical Review X, Vol 7, Iss 3, p 031059 (2017)
We present numerical results for the equation of state of an infinite chain of hydrogen atoms. A variety of modern many-body methods are employed, with exhaustive cross-checks and validation. Approaches for reaching the continuous space limit and the
Externí odkaz:
https://doaj.org/article/9031b80aafb04ce08f0d23d907eb34c7
Autor:
Kevin K. Ly, David M. Ceperley
Publikováno v:
The Journal of chemical physics. 156(4)
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 method
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::df6c4d12396ff0ea1021ac4322302b35
https://pubmed.ncbi.nlm.nih.gov/35105096
https://pubmed.ncbi.nlm.nih.gov/35105096
Autor:
Kevin K. Ly, David M. Ceperley
The synthesis of the high temperature superconductor LaH$_{10}$ requires pressures in excess of 100 GPa, wherein it adopts a face-centered cubic structure. Upon decompression, this structure undergoes a distortion which still supports superconductivi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::78ee976ee347eea23dd44f6cdb583bd3
We survey the phase diagram of high-pressure molecular hydrogen with path integral molecular dynamics using a machine-learned interatomic potential trained with Quantum Monte Carlo forces and energies. Besides the HCP and C2/c-24 phases, we find two
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::282a4c8c66a190d4c561f0741cb5ed89
Publikováno v:
Proceedings of the National Academy of Sciences. 116:9770-9774
Optical properties of compressed fluid hydrogen in the region where dissociation and metallization is observed are computed by ab-initio methods and compared to recent experimental results. We confirm that above 3000 K both processes are continuous w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9c294d61ddb8665e2ec9e87a0e5bd317
https://doi.org/10.1073/pnas.1818897116
https://doi.org/10.1073/pnas.1818897116
Autor:
Emanuel Gull, David M. Ceperley, Tran Nguyen Lan, E. M. Stoudenmire, Jia Li, Igor S. Tupitsyn, Mario Motta, Ushnish Ray, Qiming Sun, Shiwei Zhang, Fengjie Ma, Andrew J. Millis, Steven R. White, Gustavo E. Scuseria, Sheng Guo, Sandro Sorella, Dominika Zgid, Nikolay Prokof'ev, Garnet Kin-Lic Chan, John A. Gomez, Carlos A. Jiménez-Hoyos
Publikováno v:
Physical Review X, Vol 11, Iss 2, p 029901 (2021)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3327a4ddcf06c39fc7afc28d529ce967
https://doi.org/10.1103/physrevx.11.029901
https://doi.org/10.1103/physrevx.11.029901
Autor:
Stephen B. Libby, David M. Ceperley
Publikováno v:
Proc Natl Acad Sci U S A
Berni Julian Alder, one of the leading figures in the invention of molecular dynamics simulations used for a wide array of problems in physics and chemistry, died on September 7, 2020. His career, spanning more than 65 years, transformed statistical
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2b8d3c01c026d4b4ae520b0c7e8d2399
https://pubmed.ncbi.nlm.nih.gov/33622799
https://pubmed.ncbi.nlm.nih.gov/33622799
Publikováno v:
The Journal of Chemical Physics
The Journal of Chemical Physics, AIP, 2020, ⟨10.1063/5.0031843⟩
Journal of Chemical Physics
Journal of Chemical Physics, 2020, ⟨10.1063/5.0031843⟩
The Journal of Chemical Physics, AIP, 2020, ⟨10.1063/5.0031843⟩
Journal of Chemical Physics
Journal of Chemical Physics, 2020, ⟨10.1063/5.0031843⟩
International audience; We develop a formalism to accurately account for the renormalization of electronic structure due to quantum and thermal nuclear motions within the Born-Oppenheimer approximation. We focus on the fundamental energy gap obtained
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9ef2b4e3a87c494a234696cc752a8337
https://hal-cnrs.archives-ouvertes.fr/hal-03370275/document
https://hal-cnrs.archives-ouvertes.fr/hal-03370275/document